6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid

C189H223FN10O16 — CID 157262653

IUPAC6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid
SMILESCc1cc2c(cc1-c1cc(/C=C/C(=O)O)cnc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cccc(/C=C/C(=O)O)n1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1ccnc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cncc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1nc(/C=C/C(=O)O)ccc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)c(F)cc31)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C.Cc1cnc(/C=C/C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H27FN2O2.C24H28N2O2.3C24H29NO2.3C23H27NO2/c1-13-9-16-17(24(5,6)8-7-23(16,3)4)11-20(13)27-14(2)26-19-10-15(22(28)29)18(25)12-21(19)27;1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26;1-15-11-20-21(24(5,6)10-9-23(20,3)4)13-18(15)19-12-17(7-8-22(26)27)14-25-16(19)2;1-15-11-20-21(24(5,6)10-9-23(20,3)4)13-19(15)18-12-17(7-8-22(26)27)25-14-16(18)2;1-15-7-8-17(9-10-21(26)27)25-22(15)18-14-20-19(13-16(18)2)23(3,4)11-12-24(20,5)6;1-15-12-19-20(23(4,5)10-9-22(19,2)3)14-18(15)16-8-11-24-17(13-16)6-7-21(25)26;1-15-10-19-20(23(4,5)9-8-22(19,2)3)12-18(15)17-11-16(13-24-14-17)6-7-21(25)26;1-15-13-18-19(23(4,5)12-11-22(18,2)3)14-17(15)20-8-6-7-16(24-20)9-10-21(25)26/h9-12H,7-8H2,1-6H3,(H,28,29);7-8,11-13H,9-10H2,1-6H3,(H,27,28);2*7-8,11-14H,9-10H2,1-6H3,(H,26,27);7-10,13-14H,11-12H2,1-6H3,(H,26,27);6-8,11-14H,9-10H2,1-5H3,(H,25,26);6-7,10-14H,8-9H2,1-5H3,(H,25,26);6-10,13-14H,11-12H2,1-5H3,(H,25,26)/b;;2*8-7+;10-9+;2*7-6+;10-9+
InChIKeyAXQGYGXZFBHPFY-JORNRXAWSA-N
MW2909.91 g/mol
LogP45.47
Rot. Bonds22

About 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid

6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid (PubChem CID 157262653) has the molecular formula C189H223FN10O16 and a molecular weight of 2909.91 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid
PubChem CID157262653
Molecular FormulaC189H223FN10O16
Molecular Weight2909.91 g/mol
Exact Mass2907.69
IUPAC Name6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid
SMILESCc1cc2c(cc1-c1cc(/C=C/C(=O)O)cnc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cccc(/C=C/C(=O)O)n1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1ccnc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cncc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1nc(/C=C/C(=O)O)ccc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)c(F)cc31)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C.Cc1cnc(/C=C/C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H27FN2O2.C24H28N2O2.3C24H29NO2.3C23H27NO2/c1-13-9-16-17(24(5,6)8-7-23(16,3)4)11-20(13)27-14(2)26-19-10-15(22(28)29)18(25)12-21(19)27;1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26;1-15-11-20-21(24(5,6)10-9-23(20,3)4)13-18(15)19-12-17(7-8-22(26)27)14-25-16(19)2;1-15-11-20-21(24(5,6)10-9-23(20,3)4)13-19(15)18-12-17(7-8-22(26)27)25-14-16(18)2;1-15-7-8-17(9-10-21(26)27)25-22(15)18-14-20-19(13-16(18)2)23(3,4)11-12-24(20,5)6;1-15-12-19-20(23(4,5)10-9-22(19,2)3)14-18(15)16-8-11-24-17(13-16)6-7-21(25)26;1-15-10-19-20(23(4,5)9-8-22(19,2)3)12-18(15)17-11-16(13-24-14-17)6-7-21(25)26;1-15-13-18-19(23(4,5)12-11-22(18,2)3)14-17(15)20-8-6-7-16(24-20)9-10-21(25)26/h9-12H,7-8H2,1-6H3,(H,28,29);7-8,11-13H,9-10H2,1-6H3,(H,27,28);2*7-8,11-14H,9-10H2,1-6H3,(H,26,27);7-10,13-14H,11-12H2,1-6H3,(H,26,27);6-8,11-14H,9-10H2,1-5H3,(H,25,26);6-7,10-14H,8-9H2,1-5H3,(H,25,26);6-10,13-14H,11-12H2,1-5H3,(H,25,26)/b;;2*8-7+;10-9+;2*7-6+;10-9+
InChIKeyAXQGYGXZFBHPFY-JORNRXAWSA-N
XLogP45.47
TPSA411.38 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002909.91
LogP ≤ 545.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid (CID 157262653) is 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid is Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)cnc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cccc(/C=C/C(=O)O)n1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1ccnc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cncc(/C=C/C(=O)O)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1nc(/C=C/C(=O)O)ccc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)c(F)cc31)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C.Cc1cnc(/C=C/C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is AXQGYGXZFBHPFY-JORNRXAWSA-N. The full InChI is InChI=1S/C24H27FN2O2.C24H28N2O2.3C24H29NO2.3C23H27NO2/c1-13-9-16-17(24(5,6)8-7-23(16,3)4)11-20(13)27-14(2)26-19-10-15(22(28)29)18(25)12-21(19)27;1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26;1-15-11-20-21(24(5,6)10-9-23(20,3)4)13-18(15)19-12-17(7-8-22(26)27)14-25-16(19)2;1-15-11-20-21(24(5,6)10-9-23(20,3)4)13-19(15)18-12-17(7-8-22(26)27)25-14-16(18)2;1-15-7-8-17(9-10-21(26)27)25-22(15)18-14-20-19(13-16(18)2)23(3,4)11-12-24(20,5)6;1-15-12-19-20(23(4,5)10-9-22(19,2)3)14-18(15)16-8-11-24-17(13-16)6-7-21(25)26;1-15-10-19-20(23(4,5)9-8-22(19,2)3)12-18(15)17-11-16(13-24-14-17)6-7-21(25)26;1-15-13-18-19(23(4,5)12-11-22(18,2)3)14-17(15)20-8-6-7-16(24-20)9-10-21(25)26/h9-12H,7-8H2,1-6H3,(H,28,29);7-8,11-13H,9-10H2,1-6H3,(H,27,28);2*7-8,11-14H,9-10H2,1-6H3,(H,26,27);7-10,13-14H,11-12H2,1-6H3,(H,26,27);6-8,11-14H,9-10H2,1-5H3,(H,25,26);6-7,10-14H,8-9H2,1-5H3,(H,25,26);6-10,13-14H,11-12H2,1-5H3,(H,25,26)/b;;2*8-7+;10-9+;2*7-6+;10-9+.
What are the key properties of 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid?
6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 2909.91 g/mol, XLogP of 45.47, 22 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid;(E)-3-[5-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-methyl-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[6-methyl-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]prop-2-enoic acid;(E)-3-[6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 157262653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).