1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H14N2O2 — CID 83711577

IUPAC1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C(=O)O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H14N2O2/c1-12(2)6-13(12,11(16)17)8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKDDFLUAHYDVVHP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.32
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 83711577) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID83711577
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C(=O)O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H14N2O2/c1-12(2)6-13(12,11(16)17)8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKDDFLUAHYDVVHP-UHFFFAOYSA-N
XLogP2.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3H-benzimidazol-5-yl)-2-methylpyrrolidine-1-carboxylic acid
CID 67468996
methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 70096005
6-(2-methylpiperazin-2-yl)-1H-benzimidazole
CID 116856328
3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 131320664
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
2-(3H-benzimidazole-5-carbonyl)butanoic acid
CID 116922875
3-(3H-benzimidazol-5-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184912
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 83711577) is 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)CC1(C(=O)O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is KDDFLUAHYDVVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-12(2)6-13(12,11(16)17)8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83711577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).