5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole

C13H10ClN3 — CID 10966745

IUPAC5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
SMILESCn1c(-c2cccnc2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H10ClN3/c1-17-12-5-4-10(14)7-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,1H3
InChIKeyGVIBNGFDVQQBOJ-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.29
Rot. Bonds1

About 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole

5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole (PubChem CID 10966745) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
PubChem CID10966745
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
SMILESCn1c(-c2cccnc2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H10ClN3/c1-17-12-5-4-10(14)7-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,1H3
InChIKeyGVIBNGFDVQQBOJ-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole (CID 10966745) is 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole is Cn1c(-c2cccnc2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole?
The InChIKey is GVIBNGFDVQQBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-17-12-5-4-10(14)7-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,1H3.
What are the key properties of 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole?
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole has a molecular weight of 243.70 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 10966745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).