2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid

C11H9ClN2O2 — CID 83842368

IUPAC2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Cl)n2C1CC1
InChIInChI=1S/C11H9ClN2O2/c12-11-13-8-5-6(10(15)16)1-4-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)
InChIKeyCDQFERMNGIPQQF-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid

2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid (PubChem CID 83842368) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
PubChem CID83842368
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Cl)n2C1CC1
InChIInChI=1S/C11H9ClN2O2/c12-11-13-8-5-6(10(15)16)1-4-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16)
InChIKeyCDQFERMNGIPQQF-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid (CID 83842368) is 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Cl)n2C1CC1.
What is the InChIKey of 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid?
The InChIKey is CDQFERMNGIPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-11-13-8-5-6(10(15)16)1-4-9(8)14(11)7-2-3-7/h1,4-5,7H,2-3H2,(H,15,16).
What are the key properties of 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid?
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid has a molecular weight of 236.66 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 83842368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).