1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid

C23H26N2O4 — CID 23515674

IUPAC1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESCCOc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCC2)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-3-28-20-12-10-15(14-21(20)29-4-2)22-24-18-13-16(23(26)27)9-11-19(18)25(22)17-7-5-6-8-17/h9-14,17H,3-8H2,1-2H3,(H,26,27)
InChIKeyYHRZFZOMGHJNRC-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.31
Rot. Bonds7

About 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid

1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 23515674) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID23515674
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESCCOc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCC2)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-3-28-20-12-10-15(14-21(20)29-4-2)22-24-18-13-16(23(26)27)9-11-19(18)25(22)17-7-5-6-8-17/h9-14,17H,3-8H2,1-2H3,(H,26,27)
InChIKeyYHRZFZOMGHJNRC-UHFFFAOYSA-N
XLogP5.31
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040
2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 135730670
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
2-[4-(2-carboxyethenyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 74058096
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
1-cyclohexyl-2-[4-[2-(3-methylbut-2-enoxy)phenoxy]phenyl]benzimidazole-5-carboxylic acid
CID 10163768
1-cyclopentyl-2-[4-[[4-(2-ethoxy-2-oxoethyl)phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515751
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid (CID 23515674) is 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid is CCOc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCC2)cc1OCC.
What is the InChIKey of 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is YHRZFZOMGHJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-28-20-12-10-15(14-21(20)29-4-2)22-24-18-13-16(23(26)27)9-11-19(18)25(22)17-7-5-6-8-17/h9-14,17H,3-8H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,4-diethoxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).