6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C20H14N4O2 — CID 2806750

IUPAC6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESO=[N+]([O-])c1cccc(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C20H14N4O2/c25-24(26)14-7-5-6-13(12-14)19-21-16-9-2-1-8-15(16)20-22-17-10-3-4-11-18(17)23(19)20/h1-12,19,21H
InChIKeyRCABTWOEVNTODW-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.58
Rot. Bonds2

About 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 2806750) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID2806750
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESO=[N+]([O-])c1cccc(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C20H14N4O2/c25-24(26)14-7-5-6-13(12-14)19-21-16-9-2-1-8-15(16)20-22-17-10-3-4-11-18(17)23(19)20/h1-12,19,21H
InChIKeyRCABTWOEVNTODW-UHFFFAOYSA-N
XLogP4.58
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline 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 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 2806750) is 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is O=[N+]([O-])c1cccc(C2Nc3ccccc3-c3nc4ccccc4n32)c1.
What is the InChIKey of 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is RCABTWOEVNTODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-24(26)14-7-5-6-13(12-14)19-21-16-9-2-1-8-15(16)20-22-17-10-3-4-11-18(17)23(19)20/h1-12,19,21H.
What are the key properties of 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 342.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 2806750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).