1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid

C14H16N2O2 — CID 113332313

IUPAC1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CCC1CC1
InChIInChI=1S/C14H16N2O2/c1-9-15-13-11(14(17)18)3-2-4-12(13)16(9)8-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,17,18)
InChIKeyMIERJYVMCGGEKE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid

1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 113332313) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID113332313
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CCC1CC1
InChIInChI=1S/C14H16N2O2/c1-9-15-13-11(14(17)18)3-2-4-12(13)16(9)8-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,17,18)
InChIKeyMIERJYVMCGGEKE-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
1-(3-ethoxypropyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332181
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid (CID 113332313) is 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is MIERJYVMCGGEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-15-13-11(14(17)18)3-2-4-12(13)16(9)8-7-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,17,18).
What are the key properties of 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid?
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 113332313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).