4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

C14H19N3 — CID 137012185

IUPAC4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCC(C)(C)C1CCNc2nc3ccccc3n21
InChIInChI=1S/C14H19N3/c1-14(2,3)12-8-9-15-13-16-10-6-4-5-7-11(10)17(12)13/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyZKOAUQYGKOQFQL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.44
Rot. Bonds

About 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 137012185) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID137012185
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCC(C)(C)C1CCNc2nc3ccccc3n21
InChIInChI=1S/C14H19N3/c1-14(2,3)12-8-9-15-13-16-10-6-4-5-7-11(10)17(12)13/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyZKOAUQYGKOQFQL-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136840403
2-methyl-5-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-4-yl)aniline
CID 136840416
7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840343
3-(2-methylbenzimidazol-1-yl)azepan-2-one
CID 113221527
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
CID 63030439
3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 135797532
(2R,4S)-4-(2-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136742986
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
1-cyclopropyl-2-(2-methylpyrrolidin-3-yl)benzimidazole
CID 79364147
2-phenyl-1-piperidin-4-ylbenzimidazole
CID 21222159

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (CID 137012185) is 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is CC(C)(C)C1CCNc2nc3ccccc3n21.
What is the InChIKey of 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is ZKOAUQYGKOQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)12-8-9-15-13-16-10-6-4-5-7-11(10)17(12)13/h4-7,12H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 137012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).