5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole

C13H11ClN4O — CID 155663694

IUPAC5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
SMILESCOc1ccnc(-n2c(C)nc3cc(Cl)ccc32)n1
InChIInChI=1S/C13H11ClN4O/c1-8-16-10-7-9(14)3-4-11(10)18(8)13-15-6-5-12(17-13)19-2/h3-7H,1-2H3
InChIKeyBEIRIIOCKMIAEL-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole

5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole (PubChem CID 155663694) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
PubChem CID155663694
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
SMILESCOc1ccnc(-n2c(C)nc3cc(Cl)ccc32)n1
InChIInChI=1S/C13H11ClN4O/c1-8-16-10-7-9(14)3-4-11(10)18(8)13-15-6-5-12(17-13)19-2/h3-7H,1-2H3
InChIKeyBEIRIIOCKMIAEL-UHFFFAOYSA-N
XLogP2.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
The IUPAC name of 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole (CID 155663694) is 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
The canonical SMILES for 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole is COc1ccnc(-n2c(C)nc3cc(Cl)ccc32)n1.
What is the InChIKey of 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
The InChIKey is BEIRIIOCKMIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-16-10-7-9(14)3-4-11(10)18(8)13-15-6-5-12(17-13)19-2/h3-7H,1-2H3.
What are the key properties of 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole has a molecular weight of 274.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methoxypyrimidin-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 155663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).