2-chloro-1-cyclopropylbenzimidazol-5-ol

C10H9ClN2O — CID 83834342

IUPAC2-chloro-1-cyclopropylbenzimidazol-5-ol
SMILESOc1ccc2c(c1)nc(Cl)n2C1CC1
InChIInChI=1S/C10H9ClN2O/c11-10-12-8-5-7(14)3-4-9(8)13(10)6-1-2-6/h3-6,14H,1-2H2
InChIKeyLAAPLTQXCABAMN-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-1-cyclopropylbenzimidazol-5-ol

2-chloro-1-cyclopropylbenzimidazol-5-ol (PubChem CID 83834342) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-1-cyclopropylbenzimidazol-5-ol.

Molecular Properties

Compound Name2-chloro-1-cyclopropylbenzimidazol-5-ol
PubChem CID83834342
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-chloro-1-cyclopropylbenzimidazol-5-ol
SMILESOc1ccc2c(c1)nc(Cl)n2C1CC1
InChIInChI=1S/C10H9ClN2O/c11-10-12-8-5-7(14)3-4-9(8)13(10)6-1-2-6/h3-6,14H,1-2H2
InChIKeyLAAPLTQXCABAMN-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropylbenzimidazol-5-ol?
The IUPAC name of 2-chloro-1-cyclopropylbenzimidazol-5-ol (CID 83834342) is 2-chloro-1-cyclopropylbenzimidazol-5-ol.
What is the SMILES notation for 2-chloro-1-cyclopropylbenzimidazol-5-ol?
The canonical SMILES for 2-chloro-1-cyclopropylbenzimidazol-5-ol is Oc1ccc2c(c1)nc(Cl)n2C1CC1.
What is the InChIKey of 2-chloro-1-cyclopropylbenzimidazol-5-ol?
The InChIKey is LAAPLTQXCABAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10-12-8-5-7(14)3-4-9(8)13(10)6-1-2-6/h3-6,14H,1-2H2.
What are the key properties of 2-chloro-1-cyclopropylbenzimidazol-5-ol?
2-chloro-1-cyclopropylbenzimidazol-5-ol has a molecular weight of 208.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropylbenzimidazol-5-ol is sourced from PubChem (CID 83834342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).