4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

C18H19N3 — CID 136840403

IUPAC4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2CCNc3nc4ccccc4n32)cc1C
InChIInChI=1S/C18H19N3/c1-12-7-8-14(11-13(12)2)16-9-10-19-18-20-15-5-3-4-6-17(15)21(16)18/h3-8,11,16H,9-10H2,1-2H3,(H,19,20)
InChIKeyJGIAJPKUYPXUEC-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 136840403) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID136840403
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2CCNc3nc4ccccc4n32)cc1C
InChIInChI=1S/C18H19N3/c1-12-7-8-14(11-13(12)2)16-9-10-19-18-20-15-5-3-4-6-17(15)21(16)18/h3-8,11,16H,9-10H2,1-2H3,(H,19,20)
InChIKeyJGIAJPKUYPXUEC-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-4-yl)aniline
CID 136840416
4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 137012185
(2S,4R)-4-(3-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671486
(2R,4S)-4-(2-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136742986
7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838152
2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 3851461
2-(4-fluorophenyl)-4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 3769694
(2S,4S)-2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671401
(4S)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856790
(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856789
(2S,4R)-4-(3-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136743026
4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 3823858

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (CID 136840403) is 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is Cc1ccc(C2CCNc3nc4ccccc4n32)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is JGIAJPKUYPXUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-7-8-14(11-13(12)2)16-9-10-19-18-20-15-5-3-4-6-17(15)21(16)18/h3-8,11,16H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 277.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136840403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).