1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid

C17H24N2O2 — CID 115543581

IUPAC1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cccc2n1CCCC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-7-15-18-16-13(17(20)21)9-5-10-14(16)19(15)11-6-8-12(2)3/h5,9-10,12H,4,6-8,11H2,1-3H3,(H,20,21)
InChIKeyBUGCNXOAWWMNIG-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.12
Rot. Bonds7

About 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid

1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 115543581) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
PubChem CID115543581
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cccc2n1CCCC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-7-15-18-16-13(17(20)21)9-5-10-14(16)19(15)11-6-8-12(2)3/h5,9-10,12H,4,6-8,11H2,1-3H3,(H,20,21)
InChIKeyBUGCNXOAWWMNIG-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113332174
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
1-[2-(dimethylamino)propyl]-2-propylbenzimidazole-4-carboxylic acid
CID 115543429
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543043
2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
CID 106304934
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115543775
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543008
1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
2-(2-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326562
1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid (CID 115543581) is 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2c(C(=O)O)cccc2n1CCCC(C)C.
What is the InChIKey of 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is BUGCNXOAWWMNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-7-15-18-16-13(17(20)21)9-5-10-14(16)19(15)11-6-8-12(2)3/h5,9-10,12H,4,6-8,11H2,1-3H3,(H,20,21).
What are the key properties of 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid?
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).