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

C19H11ClN4O2 — CID 56964460

IUPAC10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12
InChIInChI=1S/C19H11ClN4O2/c20-12-7-9-13(10-8-12)23-14-4-1-2-5-15(14)24-18(25)17(21-22-19(23)24)16-6-3-11-26-16/h1-11H
InChIKeySAOPWECJKRPNMG-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.95
Rot. Bonds2

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

10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 56964460) has the molecular formula C19H11ClN4O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID56964460
Molecular FormulaC19H11ClN4O2
Molecular Weight362.78 g/mol
Exact Mass362.06
IUPAC Name10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12
InChIInChI=1S/C19H11ClN4O2/c20-12-7-9-13(10-8-12)23-14-4-1-2-5-15(14)24-18(25)17(21-22-19(23)24)16-6-3-11-26-16/h1-11H
InChIKeySAOPWECJKRPNMG-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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 56964460) is 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12.
What is the InChIKey of 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is SAOPWECJKRPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O2/c20-12-7-9-13(10-8-12)23-14-4-1-2-5-15(14)24-18(25)17(21-22-19(23)24)16-6-3-11-26-16/h1-11H.
What are the key properties of 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
10-(4-chlorophenyl)-3-(furan-2-yl)-[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 10-(4-chlorophenyl)-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 56964460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).