methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate

C25H30N2O2 — CID 46835966

IUPACmethyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(C)n2-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2O2/c1-15-12-18-19(25(5,6)11-10-24(18,3)4)14-22(15)27-16(2)26-20-13-17(23(28)29-7)8-9-21(20)27/h8-9,12-14H,10-11H2,1-7H3
InChIKeyDJSYBIDALYMBIU-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.78
Rot. Bonds2

About methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate

methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate (PubChem CID 46835966) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate
PubChem CID46835966
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Namemethyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(C)n2-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2O2/c1-15-12-18-19(25(5,6)11-10-24(18,3)4)14-22(15)27-16(2)26-20-13-17(23(28)29-7)8-9-21(20)27/h8-9,12-14H,10-11H2,1-7H3
InChIKeyDJSYBIDALYMBIU-UHFFFAOYSA-N
XLogP5.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate with MolForge

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Related Compounds

methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate
CID 71584533
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate
CID 5048733
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
CID 10385740
methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate
CID 139659046
methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500
methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate
CID 10046765
dimethyl 3,3-dimethyl-2H-indole-1,5-dicarboxylate
CID 101144422

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate (CID 46835966) is methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(C)n2-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate?
The InChIKey is DJSYBIDALYMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-15-12-18-19(25(5,6)11-10-24(18,3)4)14-22(15)27-16(2)26-20-13-17(23(28)29-7)8-9-21(20)27/h8-9,12-14H,10-11H2,1-7H3.
What are the key properties of methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate?
methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate is sourced from PubChem (CID 46835966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).