1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid

C15H16N2O2 — CID 115543497

IUPAC1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(C1CC1)n2C1CCC1
InChIInChI=1S/C15H16N2O2/c18-15(19)11-5-2-6-12-13(11)16-14(9-7-8-9)17(12)10-3-1-4-10/h2,5-6,9-10H,1,3-4,7-8H2,(H,18,19)
InChIKeyMHTSLEMRDKUYAQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.34
Rot. Bonds3

About 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid

1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid (PubChem CID 115543497) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
PubChem CID115543497
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(C1CC1)n2C1CCC1
InChIInChI=1S/C15H16N2O2/c18-15(19)11-5-2-6-12-13(11)16-14(9-7-8-9)17(12)10-3-1-4-10/h2,5-6,9-10H,1,3-4,7-8H2,(H,18,19)
InChIKeyMHTSLEMRDKUYAQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144
2-tert-butyl-1-(oxolan-3-yl)benzimidazole-4-carboxylic acid
CID 115543941
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid (CID 115543497) is 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1nc(C1CC1)n2C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
The InChIKey is MHTSLEMRDKUYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)11-5-2-6-12-13(11)16-14(9-7-8-9)17(12)10-3-1-4-10/h2,5-6,9-10H,1,3-4,7-8H2,(H,18,19).
What are the key properties of 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).