(5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone

C25H19N3O — CID 1371502

IUPAC(5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone
SMILESCc1cc2ncn(C(=O)c3cc(-c4ccccc4)nc4ccccc34)c2cc1C
InChIInChI=1S/C25H19N3O/c1-16-12-23-24(13-17(16)2)28(15-26-23)25(29)20-14-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-15H,1-2H3
InChIKeyWZQGRTGWKANEBP-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.56
Rot. Bonds2

About (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone

(5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone (PubChem CID 1371502) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone
PubChem CID1371502
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name(5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone
SMILESCc1cc2ncn(C(=O)c3cc(-c4ccccc4)nc4ccccc34)c2cc1C
InChIInChI=1S/C25H19N3O/c1-16-12-23-24(13-17(16)2)28(15-26-23)25(29)20-14-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-15H,1-2H3
InChIKeyWZQGRTGWKANEBP-UHFFFAOYSA-N
XLogP5.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone?
The IUPAC name of (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone (CID 1371502) is (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone?
The canonical SMILES for (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone is Cc1cc2ncn(C(=O)c3cc(-c4ccccc4)nc4ccccc34)c2cc1C.
What is the InChIKey of (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone?
The InChIKey is WZQGRTGWKANEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-16-12-23-24(13-17(16)2)28(15-26-23)25(29)20-14-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-15H,1-2H3.
What are the key properties of (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone?
(5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylbenzimidazol-1-yl)-(2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 1371502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).