1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

C26H24N2O3 — CID 23515913

IUPAC1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(OCc3ccccc3)c1)n2C1CCCC1
InChIInChI=1S/C26H24N2O3/c29-26(30)20-13-14-24-23(16-20)27-25(28(24)21-10-4-5-11-21)19-9-6-12-22(15-19)31-17-18-7-2-1-3-8-18/h1-3,6-9,12-16,21H,4-5,10-11,17H2,(H,29,30)
InChIKeyRPIQBPDKUSWOMF-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.10
Rot. Bonds6

About 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 23515913) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID23515913
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(OCc3ccccc3)c1)n2C1CCCC1
InChIInChI=1S/C26H24N2O3/c29-26(30)20-13-14-24-23(16-20)27-25(28(24)21-10-4-5-11-21)19-9-6-12-22(15-19)31-17-18-7-2-1-3-8-18/h1-3,6-9,12-16,21H,4-5,10-11,17H2,(H,29,30)
InChIKeyRPIQBPDKUSWOMF-UHFFFAOYSA-N
XLogP6.10
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
CID 71216208
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
1-cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
2-[3-[(benzhydrylamino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515899
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515885
1-cyclohexyl-2-[3-[(naphthalen-1-ylamino)methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515478
1-cyclohexyl-2-[3-[[(3,4-dichlorophenyl)methylamino]methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515504
1-cyclohexyl-2-[4-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethoxy]phenyl]benzimidazole-5-carboxylic acid
CID 69470368
1-cyclohexyl-2-[4-(3,3-diphenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10165388
1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515674
1-cyclohexyl-2-(4-phenoxyphenyl)benzimidazole-5-carboxylic acid;(2-methyl-4-pyridinyl)methanol
CID 142198274

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid (CID 23515913) is 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(OCc3ccccc3)c1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is RPIQBPDKUSWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-26(30)20-13-14-24-23(16-20)27-25(28(24)21-10-4-5-11-21)19-9-6-12-22(15-19)31-17-18-7-2-1-3-8-18/h1-3,6-9,12-16,21H,4-5,10-11,17H2,(H,29,30).
What are the key properties of 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 412.49 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).