3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole

C17H13N3 — CID 165178310

IUPAC3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
SMILESCc1cccc(-c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C17H13N3/c1-12-5-4-6-13(9-12)14-10-18-17-19-15-7-2-3-8-16(15)20(17)11-14/h2-11H,1H3
InChIKeyXHWMAPVWXVDYNB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds1

About 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole

3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole (PubChem CID 165178310) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
PubChem CID165178310
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
SMILESCc1cccc(-c2cnc3nc4ccccc4n3c2)c1
InChIInChI=1S/C17H13N3/c1-12-5-4-6-13(9-12)14-10-18-17-19-15-7-2-3-8-16(15)20(17)11-14/h2-11H,1H3
InChIKeyXHWMAPVWXVDYNB-UHFFFAOYSA-N
XLogP3.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromopyrimido[1,2-a]benzimidazole
CID 28819039
pyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 82401393
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
CID 161395332
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
9-[6-carbazol-9-yl-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 156574202
3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
CID 44577928
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine
CID 70797858
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole (CID 165178310) is 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole is Cc1cccc(-c2cnc3nc4ccccc4n3c2)c1.
What is the InChIKey of 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole?
The InChIKey is XHWMAPVWXVDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-5-4-6-13(9-12)14-10-18-17-19-15-7-2-3-8-16(15)20(17)11-14/h2-11H,1H3.
What are the key properties of 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole?
3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole has a molecular weight of 259.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 165178310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).