methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate

C32H30N2O3 — CID 59016327

IUPACmethyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc4ccccc4c3)cc1)n2C1CCCCC1
InChIInChI=1S/C32H30N2O3/c1-36-32(35)26-15-18-30-29(20-26)33-31(34(30)27-9-3-2-4-10-27)24-13-16-28(17-14-24)37-21-22-11-12-23-7-5-6-8-25(23)19-22/h5-8,11-20,27H,2-4,9-10,21H2,1H3
InChIKeyTXFWFRZKFCRCLD-UHFFFAOYSA-N
MW490.60 g/mol
LogP7.73
Rot. Bonds6

About methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate

methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate (PubChem CID 59016327) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate
PubChem CID59016327
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Namemethyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc4ccccc4c3)cc1)n2C1CCCCC1
InChIInChI=1S/C32H30N2O3/c1-36-32(35)26-15-18-30-29(20-26)33-31(34(30)27-9-3-2-4-10-27)24-13-16-28(17-14-24)37-21-22-11-12-23-7-5-6-8-25(23)19-22/h5-8,11-20,27H,2-4,9-10,21H2,1H3
InChIKeyTXFWFRZKFCRCLD-UHFFFAOYSA-N
XLogP7.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[[2-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylate
CID 10122322
methyl 2-[4-[[2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylate
CID 91307758
1-cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
1-cyclohexyl-2-[4-(3,3-diphenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10165388
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
1-cyclohexyl-2-[4-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethoxy]phenyl]benzimidazole-5-carboxylic acid
CID 69470368
2-[1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]-2-formamidoacetic acid
CID 87847801
1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 142198186
1-cyclohexyl-2-(4-phenoxyphenyl)benzimidazole-5-carboxylic acid;(2-methyl-4-pyridinyl)methanol
CID 142198274
1-cyclohexyl-2-[4-[[(2S)-1-phenylpyrrolidin-2-yl]methoxy]phenyl]benzimidazole-5-carboxylic acid;hydrochloride
CID 69472677
2-[4-[[2-(4-chlorophenyl)-5-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11845101
methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate
CID 102406174

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate (CID 59016327) is methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc4ccccc4c3)cc1)n2C1CCCCC1.
What is the InChIKey of methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate?
The InChIKey is TXFWFRZKFCRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-36-32(35)26-15-18-30-29(20-26)33-31(34(30)27-9-3-2-4-10-27)24-13-16-28(17-14-24)37-21-22-11-12-23-7-5-6-8-25(23)19-22/h5-8,11-20,27H,2-4,9-10,21H2,1H3.
What are the key properties of methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate?
methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 59016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).