7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C19H11ClN4O2 — CID 57325915

IUPAC7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12
InChIInChI=1S/C19H11ClN4O2/c20-12-8-9-14-15(11-12)24-18(25)17(16-7-4-10-26-16)21-22-19(24)23(14)13-5-2-1-3-6-13/h1-11H
InChIKeyOEWNQGXQPWIWBZ-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.95
Rot. Bonds2

About 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 57325915) has the molecular formula C19H11ClN4O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID57325915
Molecular FormulaC19H11ClN4O2
Molecular Weight362.78 g/mol
Exact Mass362.06
IUPAC Name7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12
InChIInChI=1S/C19H11ClN4O2/c20-12-8-9-14-15(11-12)24-18(25)17(16-7-4-10-26-16)21-22-19(24)23(14)13-5-2-1-3-6-13/h1-11H
InChIKeyOEWNQGXQPWIWBZ-UHFFFAOYSA-N
XLogP3.95
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one 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 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 57325915) is 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12.
What is the InChIKey of 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is OEWNQGXQPWIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O2/c20-12-8-9-14-15(11-12)24-18(25)17(16-7-4-10-26-16)21-22-19(24)23(14)13-5-2-1-3-6-13/h1-11H.
What are the key properties of 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 362.78 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 57325915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).