1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid

C15H18N2O2 — CID 115542790

IUPAC1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
SMILESCC(C)(C)n1c(C2CC2)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)17-11-6-4-5-10(14(18)19)12(11)16-13(17)9-7-8-9/h4-6,9H,7-8H2,1-3H3,(H,18,19)
InChIKeyIAIXSTWIRUTKIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.37
Rot. Bonds2

About 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid

1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid (PubChem CID 115542790) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
PubChem CID115542790
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
SMILESCC(C)(C)n1c(C2CC2)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)17-11-6-4-5-10(14(18)19)12(11)16-13(17)9-7-8-9/h4-6,9H,7-8H2,1-3H3,(H,18,19)
InChIKeyIAIXSTWIRUTKIO-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
1-tert-butyl-2-cyclopropylbenzimidazole-5-carboxylic acid
CID 43322785
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-tert-butyl-1-(cyclobutylmethyl)benzimidazole-4-carboxylic acid
CID 115543040
2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
CID 151822810
3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551605
2-tert-butyl-1-(oxolan-3-yl)benzimidazole-4-carboxylic acid
CID 115543941

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid (CID 115542790) is 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid is CC(C)(C)n1c(C2CC2)nc2c(C(=O)O)cccc21.
What is the InChIKey of 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
The InChIKey is IAIXSTWIRUTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)17-11-6-4-5-10(14(18)19)12(11)16-13(17)9-7-8-9/h4-6,9H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid?
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).