lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide

C86H81BrF3LiN12O13 — CID 158123017

IUPAClithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide
SMILESCOCCn1c(Cc2ccc(-n3ccc(OCc4ccccc4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-n3ccc(OCc4ccccc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(Br)cc2F)nc2ccc(C(=O)OC)cc21.[Li+].[OH-].c1ccc(COc2ccn[nH]2)cc1
InChIInChI=1S/C29H27FN4O4.C28H25FN4O4.C19H18BrFN2O3.C10H10N2O.Li.H2O/c1-36-15-14-33-26-16-22(29(35)37-2)9-11-25(26)31-27(33)17-21-8-10-23(18-24(21)30)34-13-12-28(32-34)38-19-20-6-4-3-5-7-20;1-36-14-13-32-25-15-21(28(34)35)8-10-24(25)30-26(32)16-20-7-9-22(17-23(20)29)33-12-11-27(31-33)37-18-19-5-3-2-4-6-19;1-25-8-7-23-17-9-13(19(24)26-2)4-6-16(17)22-18(23)10-12-3-5-14(20)11-15(12)21;1-2-4-9(5-3-1)8-13-10-6-7-11-12-10;;/h3-13,16,18H,14-15,17,19H2,1-2H3;2-12,15,17H,13-14,16,18H2,1H3,(H,34,35);3-6,9,11H,7-8,10H2,1-2H3;1-7H,8H2,(H,11,12);;1H2/q;;;;+1;/p-1
InChIKeyFRVCZCOHEIXSDG-UHFFFAOYSA-M
MW1634.50 g/mol
LogP12.62
Rot. Bonds29

About lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide

lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide (PubChem CID 158123017) has the molecular formula C86H81BrF3LiN12O13 and a molecular weight of 1634.50 g/mol. Its IUPAC name is lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide.

Molecular Properties

Compound Namelithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide
PubChem CID158123017
Molecular FormulaC86H81BrF3LiN12O13
Molecular Weight1634.50 g/mol
Exact Mass1632.53
IUPAC Namelithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide
SMILESCOCCn1c(Cc2ccc(-n3ccc(OCc4ccccc4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-n3ccc(OCc4ccccc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(Br)cc2F)nc2ccc(C(=O)OC)cc21.[Li+].[OH-].c1ccc(COc2ccn[nH]2)cc1
InChIInChI=1S/C29H27FN4O4.C28H25FN4O4.C19H18BrFN2O3.C10H10N2O.Li.H2O/c1-36-15-14-33-26-16-22(29(35)37-2)9-11-25(26)31-27(33)17-21-8-10-23(18-24(21)30)34-13-12-28(32-34)38-19-20-6-4-3-5-7-20;1-36-14-13-32-25-15-21(28(34)35)8-10-24(25)30-26(32)16-20-7-9-22(17-23(20)29)33-12-11-27(31-33)37-18-19-5-3-2-4-6-19;1-25-8-7-23-17-9-13(19(24)26-2)4-6-16(17)22-18(23)10-12-3-5-14(20)11-15(12)21;1-2-4-9(5-3-1)8-13-10-6-7-11-12-10;;/h3-13,16,18H,14-15,17,19H2,1-2H3;2-12,15,17H,13-14,16,18H2,1H3,(H,34,35);3-6,9,11H,7-8,10H2,1-2H3;1-7H,8H2,(H,11,12);;1H2/q;;;;+1;/p-1
InChIKeyFRVCZCOHEIXSDG-UHFFFAOYSA-M
XLogP12.62
TPSA293.06 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.50
LogP ≤ 512.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide?
The IUPAC name of lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide (CID 158123017) is lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide.
What is the SMILES notation for lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide?
The canonical SMILES for lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide is COCCn1c(Cc2ccc(-n3ccc(OCc4ccccc4)n3)cc2F)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-n3ccc(OCc4ccccc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(Br)cc2F)nc2ccc(C(=O)OC)cc21.[Li+].[OH-].c1ccc(COc2ccn[nH]2)cc1.
What is the InChIKey of lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide?
The InChIKey is FRVCZCOHEIXSDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H27FN4O4.C28H25FN4O4.C19H18BrFN2O3.C10H10N2O.Li.H2O/c1-36-15-14-33-26-16-22(29(35)37-2)9-11-25(26)31-27(33)17-21-8-10-23(18-24(21)30)34-13-12-28(32-34)38-19-20-6-4-3-5-7-20;1-36-14-13-32-25-15-21(28(34)35)8-10-24(25)30-26(32)16-20-7-9-22(17-23(20)29)33-12-11-27(31-33)37-18-19-5-3-2-4-6-19;1-25-8-7-23-17-9-13(19(24)26-2)4-6-16(17)22-18(23)10-12-3-5-14(20)11-15(12)21;1-2-4-9(5-3-1)8-13-10-6-7-11-12-10;;/h3-13,16,18H,14-15,17,19H2,1-2H3;2-12,15,17H,13-14,16,18H2,1H3,(H,34,35);3-6,9,11H,7-8,10H2,1-2H3;1-7H,8H2,(H,11,12);;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide?
lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide has a molecular weight of 1634.50 g/mol, XLogP of 12.62, 29 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;methyl 2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;5-phenylmethoxy-1H-pyrazole;hydroxide is sourced from PubChem (CID 158123017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).