(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C20H14N4O2 — CID 752491

IUPAC(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESO=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1
InChIInChI=1S/C20H14N4O2/c25-24(26)14-11-9-13(10-12-14)19-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-18(17)23(19)20/h1-12,19,21H/t19-/m1/s1
InChIKeyNLJFHFCUPHYANO-LJQANCHMSA-N
MW342.36 g/mol
LogP4.58
Rot. Bonds2

About (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 752491) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID752491
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESO=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1
InChIInChI=1S/C20H14N4O2/c25-24(26)14-11-9-13(10-12-14)19-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-18(17)23(19)20/h1-12,19,21H/t19-/m1/s1
InChIKeyNLJFHFCUPHYANO-LJQANCHMSA-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'}

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Related Compounds

(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-nitrophenol
CID 3956379
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135874224
4-chloro-2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-6-nitrophenol
CID 135874270
5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline
CID 4522525
3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 3664354
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
CID 139076751
5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
CID 135904843
6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135676290

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 752491) is (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1.
What is the InChIKey of (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is NLJFHFCUPHYANO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-24(26)14-11-9-13(10-12-14)19-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-18(17)23(19)20/h1-12,19,21H/t19-/m1/s1.
What are the key properties of (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
(6R)-6-(4-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 (6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 752491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).