6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline

C21H17N3 — CID 3973344

IUPAC6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline
SMILESCC1(c2ccccc2)Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C21H17N3/c1-21(15-9-3-2-4-10-15)23-17-12-6-5-11-16(17)20-22-18-13-7-8-14-19(18)24(20)21/h2-14,23H,1H3
InChIKeyLQFKPVQRHTZUFB-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.85
Rot. Bonds1

About 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline

6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline (PubChem CID 3973344) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline
PubChem CID3973344
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline
SMILESCC1(c2ccccc2)Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C21H17N3/c1-21(15-9-3-2-4-10-15)23-17-12-6-5-11-16(17)20-22-18-13-7-8-14-19(18)24(20)21/h2-14,23H,1H3
InChIKeyLQFKPVQRHTZUFB-UHFFFAOYSA-N
XLogP4.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Bendazol
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Mavorixafor
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2-Phenylbenzimidazole
CID 12855
Tecastemizole
CID 123618
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
2-(1H-benzimidazol-2-yl)aniline
CID 79869
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
Importazole
CID 2949965
2-(2-Methylphenyl)-1H-benzimidazole
CID 200946
Zln005
CID 899323
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline (CID 3973344) is 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline is CC1(c2ccccc2)Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is LQFKPVQRHTZUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-21(15-9-3-2-4-10-15)23-17-12-6-5-11-16(17)20-22-18-13-7-8-14-19(18)24(20)21/h2-14,23H,1H3.
What are the key properties of 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline?
6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 311.39 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-phenyl-5H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 3973344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).