5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one

C17H12ClN3O — CID 3021490

IUPAC5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccc3ccccc3n2)c2cc(Cl)ccc21
InChIInChI=1S/C17H12ClN3O/c1-20-14-8-7-12(18)10-15(14)21(17(20)22)16-9-6-11-4-2-3-5-13(11)19-16/h2-10H,1H3
InChIKeyGKWMGCZJBZTXAR-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.53
Rot. Bonds1

About 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one

5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one (PubChem CID 3021490) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one
PubChem CID3021490
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccc3ccccc3n2)c2cc(Cl)ccc21
InChIInChI=1S/C17H12ClN3O/c1-20-14-8-7-12(18)10-15(14)21(17(20)22)16-9-6-11-4-2-3-5-13(11)19-16/h2-10H,1H3
InChIKeyGKWMGCZJBZTXAR-UHFFFAOYSA-N
XLogP3.53
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one?
The IUPAC name of 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one (CID 3021490) is 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one is Cn1c(=O)n(-c2ccc3ccccc3n2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one?
The InChIKey is GKWMGCZJBZTXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-20-14-8-7-12(18)10-15(14)21(17(20)22)16-9-6-11-4-2-3-5-13(11)19-16/h2-10H,1H3.
What are the key properties of 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one?
5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one has a molecular weight of 309.76 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-quinolin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 3021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).