2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid

C14H16N2O2 — CID 43322840

IUPAC2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)n1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H16N2O2/c1-8(2)16-12-6-5-10(14(17)18)7-11(12)15-13(16)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyLURUVHXWGKRDJW-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.19
Rot. Bonds3

About 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid

2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 43322840) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID43322840
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)n1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H16N2O2/c1-8(2)16-12-6-5-10(14(17)18)7-11(12)15-13(16)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyLURUVHXWGKRDJW-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(4-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
CID 64604500
1-tert-butyl-2-cyclopropylbenzimidazole-5-carboxylic acid
CID 43322785
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 82488604
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
CID 84693728
2-cyclopropyl-1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463466
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
2-cyclopentyl-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488833
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
CID 82790323

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid (CID 43322840) is 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid is CC(C)n1c(C2CC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is LURUVHXWGKRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(2)16-12-6-5-10(14(17)18)7-11(12)15-13(16)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid?
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43322840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).