2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole

C17H15N3 — CID 15111818

IUPAC2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCC1=Nc2nc3ccccc3n2C(c2ccccc2)C1
InChIInChI=1S/C17H15N3/c1-12-11-16(13-7-3-2-4-8-13)20-15-10-6-5-9-14(15)19-17(20)18-12/h2-10,16H,11H2,1H3
InChIKeyZNCOVYOHKQOJOD-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.12
Rot. Bonds1

About 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole

2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 15111818) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID15111818
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCC1=Nc2nc3ccccc3n2C(c2ccccc2)C1
InChIInChI=1S/C17H15N3/c1-12-11-16(13-7-3-2-4-8-13)20-15-10-6-5-9-14(15)19-17(20)18-12/h2-10,16H,11H2,1H3
InChIKeyZNCOVYOHKQOJOD-UHFFFAOYSA-N
XLogP4.12
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 947025
(2R,4S)-4-(2-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136742986
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
(2S,4R)-4-(3-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671486
(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 789736
(3S)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 789733
7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
CID 118156450
(2S,4R)-2-phenyl-4-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671482
(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole
CID 10922948
2-(4-fluorophenyl)-4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 3769694
2-phenyl-3,10,12-triazapentacyclo[11.9.0.03,11.04,9.014,19]docosa-4,6,8,10,12,14,16,18-octaene
CID 15111837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole (CID 15111818) is 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole is CC1=Nc2nc3ccccc3n2C(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is ZNCOVYOHKQOJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12-11-16(13-7-3-2-4-8-13)20-15-10-6-5-9-14(15)19-17(20)18-12/h2-10,16H,11H2,1H3.
What are the key properties of 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole?
2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 261.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 15111818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).