3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

C15H18N2O2 — CID 82791209

IUPAC3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)c1nc2ccc(C(=O)O)cc2n1CC1CC1
InChIInChI=1S/C15H18N2O2/c1-9(2)14-16-12-6-5-11(15(18)19)7-13(12)17(14)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyUOCFSVNUYRFQKP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.27
Rot. Bonds4

About 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 82791209) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID82791209
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)c1nc2ccc(C(=O)O)cc2n1CC1CC1
InChIInChI=1S/C15H18N2O2/c1-9(2)14-16-12-6-5-11(15(18)19)7-13(12)17(14)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyUOCFSVNUYRFQKP-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
CID 58459395
3-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769807
3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80502987
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
3-[3-(dimethylamino)propyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769309
3-(1,3-dihydroxypropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790563
3-pentan-3-yl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790987
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
CID 82773778
3-(oxan-4-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82770602
2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
CID 82790323
2-methyl-3-(oxolan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791400

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 82791209) is 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is CC(C)c1nc2ccc(C(=O)O)cc2n1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is UOCFSVNUYRFQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)14-16-12-6-5-11(15(18)19)7-13(12)17(14)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).