2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone

C18H17N3O — CID 791781

IUPAC2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone
SMILESO=C(CN1C2=NCCCN2c2ccccc21)c1ccccc1
InChIInChI=1S/C18H17N3O/c22-17(14-7-2-1-3-8-14)13-21-16-10-5-4-9-15(16)20-12-6-11-19-18(20)21/h1-5,7-10H,6,11-13H2
InChIKeyMVUGYMAESNOJBT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.96
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone (PubChem CID 791781) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone
PubChem CID791781
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone
SMILESO=C(CN1C2=NCCCN2c2ccccc21)c1ccccc1
InChIInChI=1S/C18H17N3O/c22-17(14-7-2-1-3-8-14)13-21-16-10-5-4-9-15(16)20-12-6-11-19-18(20)21/h1-5,7-10H,6,11-13H2
InChIKeyMVUGYMAESNOJBT-UHFFFAOYSA-N
XLogP2.96
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-phenylphenyl)ethanone;hydrobromide
CID 2853239
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone
CID 2980042
methyl 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)acetate bromide
CID 53350757
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
CID 53313935
10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 6603340
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 2852818
4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
CID 155555618
1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride
CID 6602678
10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 711733
10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 90485798
4-ethyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 13077473
2-[4-(2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-11-ylmethyl)phenyl]benzonitrile
CID 155548591

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone?
The IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone (CID 791781) is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone is O=C(CN1C2=NCCCN2c2ccccc21)c1ccccc1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone?
The InChIKey is MVUGYMAESNOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-17(14-7-2-1-3-8-14)13-21-16-10-5-4-9-15(16)20-12-6-11-19-18(20)21/h1-5,7-10H,6,11-13H2.
What are the key properties of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone?
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone has a molecular weight of 291.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone is sourced from PubChem (CID 791781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).