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

C15H20N2O2 — CID 113332174

IUPAC1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cccc2n1CC(C)C
InChIInChI=1S/C15H20N2O2/c1-4-6-13-16-14-11(15(18)19)7-5-8-12(14)17(13)9-10(2)3/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,19)
InChIKeyXASPAASUIHJQKH-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.34
Rot. Bonds5

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

1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 113332174) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
PubChem CID113332174
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cccc2n1CC(C)C
InChIInChI=1S/C15H20N2O2/c1-4-6-13-16-14-11(15(18)19)7-5-8-12(14)17(13)9-10(2)3/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,19)
InChIKeyXASPAASUIHJQKH-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)propyl]-2-propylbenzimidazole-4-carboxylic acid
CID 115543429
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543581
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115543775
1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543043
1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
2-tert-butyl-1-propylbenzimidazole-4-carboxylic acid
CID 113332177
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543008
1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid (CID 113332174) is 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2c(C(=O)O)cccc2n1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is XASPAASUIHJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-6-13-16-14-11(15(18)19)7-5-8-12(14)17(13)9-10(2)3/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid?
1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 113332174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).