6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline

C24H18N4O2 — CID 10363212

IUPAC6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline
SMILESCc1ccc2nc(-c3nc4cc([N+](=O)[O-])ccc4n3C)cc(-c3ccccc3)c2c1
InChIInChI=1S/C24H18N4O2/c1-15-8-10-20-19(12-15)18(16-6-4-3-5-7-16)14-22(25-20)24-26-21-13-17(28(29)30)9-11-23(21)27(24)2/h3-14H,1-2H3
InChIKeyKZZVDSJAGCLBEP-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.67
Rot. Bonds3

About 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline

6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline (PubChem CID 10363212) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline.

Molecular Properties

Compound Name6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline
PubChem CID10363212
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline
SMILESCc1ccc2nc(-c3nc4cc([N+](=O)[O-])ccc4n3C)cc(-c3ccccc3)c2c1
InChIInChI=1S/C24H18N4O2/c1-15-8-10-20-19(12-15)18(16-6-4-3-5-7-16)14-22(25-20)24-26-21-13-17(28(29)30)9-11-23(21)27(24)2/h3-14H,1-2H3
InChIKeyKZZVDSJAGCLBEP-UHFFFAOYSA-N
XLogP5.67
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline?
The IUPAC name of 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline (CID 10363212) is 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline.
What is the SMILES notation for 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline?
The canonical SMILES for 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline is Cc1ccc2nc(-c3nc4cc([N+](=O)[O-])ccc4n3C)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline?
The InChIKey is KZZVDSJAGCLBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15-8-10-20-19(12-15)18(16-6-4-3-5-7-16)14-22(25-20)24-26-21-13-17(28(29)30)9-11-23(21)27(24)2/h3-14H,1-2H3.
What are the key properties of 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline?
6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline has a molecular weight of 394.43 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline is sourced from PubChem (CID 10363212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).