1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

C33H30N2O3 — CID 15956782

IUPAC1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cccc(-c4ccccc4)c3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H30N2O3/c36-33(37)27-16-19-31-30(21-27)34-32(35(31)28-12-5-2-6-13-28)25-14-17-29(18-15-25)38-22-23-8-7-11-26(20-23)24-9-3-1-4-10-24/h1,3-4,7-11,14-21,28H,2,5-6,12-13,22H2,(H,36,37)
InChIKeyNDLDNPSOGSPFET-UHFFFAOYSA-N
MW502.61 g/mol
LogP8.15
Rot. Bonds7

About 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 15956782) has the molecular formula C33H30N2O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID15956782
Molecular FormulaC33H30N2O3
Molecular Weight502.61 g/mol
Exact Mass502.23
IUPAC Name1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cccc(-c4ccccc4)c3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H30N2O3/c36-33(37)27-16-19-31-30(21-27)34-32(35(31)28-12-5-2-6-13-28)25-14-17-29(18-15-25)38-22-23-8-7-11-26(20-23)24-9-3-1-4-10-24/h1,3-4,7-11,14-21,28H,2,5-6,12-13,22H2,(H,36,37)
InChIKeyNDLDNPSOGSPFET-UHFFFAOYSA-N
XLogP8.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Jtk-109
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KW-3635
CID 23673318
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CID 25957
Naperiglipron
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(2e)-2-(3-Fluoranyl-4-Methoxy-Phenyl)imino-1-[[2-(Trifluoromethyl)phenyl]methyl]-3h-Benzimidazole-5-Carboxylic Acid
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1-[3-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 155294513
2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 25164463
KSP Inhibitor, 4g
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2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 15956782) is 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cccc(-c4ccccc4)c3)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is NDLDNPSOGSPFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O3/c36-33(37)27-16-19-31-30(21-27)34-32(35(31)28-12-5-2-6-13-28)25-14-17-29(18-15-25)38-22-23-8-7-11-26(20-23)24-9-3-1-4-10-24/h1,3-4,7-11,14-21,28H,2,5-6,12-13,22H2,(H,36,37).
What are the key properties of 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 502.61 g/mol, XLogP of 8.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-[(3-phenylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 15956782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).