1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid

C13H14N2O2 — CID 43140453

IUPAC1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC1CC1
InChIInChI=1S/C13H14N2O2/c1-8-14-11-6-10(13(16)17)4-5-12(11)15(8)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyUYAWFSWGNRHPJG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.45
Rot. Bonds3

About 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid

1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 43140453) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID43140453
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC1CC1
InChIInChI=1S/C13H14N2O2/c1-8-14-11-6-10(13(16)17)4-5-12(11)15(8)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyUYAWFSWGNRHPJG-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 79361798
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-methyl-1-prop-2-enylbenzimidazole-5-carboxylic acid
CID 83967706
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 63830134
2-methyl-3-(oxolan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791400
2-tert-butyl-1-(oxepan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 142972998
1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
CID 50742509
2-[9-(cyanomethyl)carbazol-3-yl]-1-(cyclopropylmethyl)benzimidazole-5-carboxylic acid
CID 129161138
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid (CID 43140453) is 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is UYAWFSWGNRHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-14-11-6-10(13(16)17)4-5-12(11)15(8)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43140453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).