2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid

C16H18N2O2 — CID 115933226

IUPAC2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESCC1(C)CC1n1c(C2CC2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H18N2O2/c1-16(2)8-12(16)18-13-10(15(19)20)4-3-5-11(13)17-14(18)9-6-7-9/h3-5,9,12H,6-8H2,1-2H3,(H,19,20)
InChIKeyNUWZEXSXAXXZNM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.58
Rot. Bonds3

About 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid

2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid (PubChem CID 115933226) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
PubChem CID115933226
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
SMILESCC1(C)CC1n1c(C2CC2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H18N2O2/c1-16(2)8-12(16)18-13-10(15(19)20)4-3-5-11(13)17-14(18)9-6-7-9/h3-5,9,12H,6-8H2,1-2H3,(H,19,20)
InChIKeyNUWZEXSXAXXZNM-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)benzotriazole-4-carboxylic acid
CID 112576687
2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933092
2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
CID 115933617
2-cyclopropyl-3-(thiolan-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 115933628
2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 112577261
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 115933139
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
3-(2,2-dimethyloxan-4-yl)benzotriazole-4-carboxylic acid
CID 115932069
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid (CID 115933226) is 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid is CC1(C)CC1n1c(C2CC2)nc2cccc(C(=O)O)c21.
What is the InChIKey of 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid?
The InChIKey is NUWZEXSXAXXZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)8-12(16)18-13-10(15(19)20)4-3-5-11(13)17-14(18)9-6-7-9/h3-5,9,12H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).