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

C16H20N2O2 — CID 115543043

IUPAC1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cccc2n1CC1CCC1
InChIInChI=1S/C16H20N2O2/c1-2-5-14-17-15-12(16(19)20)8-4-9-13(15)18(14)10-11-6-3-7-11/h4,8-9,11H,2-3,5-7,10H2,1H3,(H,19,20)
InChIKeyFRWBWKZLYFFBCG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.49
Rot. Bonds5

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

1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 115543043) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
PubChem CID115543043
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cccc2n1CC1CCC1
InChIInChI=1S/C16H20N2O2/c1-2-5-14-17-15-12(16(19)20)8-4-9-13(15)18(14)10-11-6-3-7-11/h4,8-9,11H,2-3,5-7,10H2,1H3,(H,19,20)
InChIKeyFRWBWKZLYFFBCG-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-4-carboxylic acid
CID 115543040
1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113332174
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
1-[2-(dimethylamino)propyl]-2-propylbenzimidazole-4-carboxylic acid
CID 115543429
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543581
1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543162
2-[4-[[6-[1-(cyclobutylmethyl)imidazol-4-yl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 54104120
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid (CID 115543043) is 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2c(C(=O)O)cccc2n1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is FRWBWKZLYFFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-5-14-17-15-12(16(19)20)8-4-9-13(15)18(14)10-11-6-3-7-11/h4,8-9,11H,2-3,5-7,10H2,1H3,(H,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid?
1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).