2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid

C17H22N2O2 — CID 79361798

IUPAC2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC1C(C)(C)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-10-18-12-8-11(15(20)21)6-7-13(12)19(10)9-14-16(2,3)17(14,4)5/h6-8,14H,9H2,1-5H3,(H,20,21)
InChIKeyCARQHLGOYMFLPI-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid

2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 79361798) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID79361798
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC1C(C)(C)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-10-18-12-8-11(15(20)21)6-7-13(12)19(10)9-14-16(2,3)17(14,4)5/h6-8,14H,9H2,1-5H3,(H,20,21)
InChIKeyCARQHLGOYMFLPI-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 63830134
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
2-methyl-1-prop-2-enylbenzimidazole-5-carboxylic acid
CID 83967706
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106376021
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole-5-carboxylic acid
CID 62118686
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
1-[2-(2-hydroxyethyl)pentyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106116846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid (CID 79361798) is 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1CC1C(C)(C)C1(C)C.
What is the InChIKey of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is CARQHLGOYMFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-18-12-8-11(15(20)21)6-7-13(12)19(10)9-14-16(2,3)17(14,4)5/h6-8,14H,9H2,1-5H3,(H,20,21).
What are the key properties of 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid?
2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 79361798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).