2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

C16H20N2O2 — CID 64836666

IUPAC2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCCn1c(C2C(C(=O)O)C2(C)C)nc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-4-9-18-11-8-6-5-7-10(11)17-14(18)12-13(15(19)20)16(12,2)3/h5-8,12-13H,4,9H2,1-3H3,(H,19,20)
InChIKeyVFCGIPNQJXHBKH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.27
Rot. Bonds4

About 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 64836666) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID64836666
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCCn1c(C2C(C(=O)O)C2(C)C)nc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-4-9-18-11-8-6-5-7-10(11)17-14(18)12-13(15(19)20)16(12,2)3/h5-8,12-13H,4,9H2,1-3H3,(H,19,20)
InChIKeyVFCGIPNQJXHBKH-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836668
trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377773
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
cis-(1S,3R)-3-[1-[(1-ethylindazol-3-yl)methyl]-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 90414636
2-(1-propylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64812653
4-(1-propylbenzimidazol-2-yl)sulfanylbenzoic acid
CID 102184594
benzyl 6-methyl-2-oxo-4-(1-propylbenzimidazol-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 47087907
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 64836666) is 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is CCCn1c(C2C(C(=O)O)C2(C)C)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is VFCGIPNQJXHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-9-18-11-8-6-5-7-10(11)17-14(18)12-13(15(19)20)16(12,2)3/h5-8,12-13H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).