10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one

C19H16ClN3O — CID 45031435

IUPAC10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1
InChIInChI=1S/C19H16ClN3O/c1-2-14-11-18(24)23-17-10-6-5-9-16(17)22(19(23)21-14)12-13-7-3-4-8-15(13)20/h3-11H,2,12H2,1H3
InChIKeyDEJFOAOMWNYSPS-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.91
Rot. Bonds3

About 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one

10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 45031435) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID45031435
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1
InChIInChI=1S/C19H16ClN3O/c1-2-14-11-18(24)23-17-10-6-5-9-16(17)22(19(23)21-14)12-13-7-3-4-8-15(13)20/h3-11H,2,12H2,1H3
InChIKeyDEJFOAOMWNYSPS-UHFFFAOYSA-N
XLogP3.91
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
1-(2-chlorobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 761927
10-(4-Chlorobenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2852770
10-[(2,3-Dichlorophenyl)methyl]-2-morpholin-4-ylpyrimido[1,2-a]benzimidazol-4-one
CID 57403578
10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 24761602
1-(3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3,3-dimethylbutan-2-one hydrobromide
CID 9550062
10-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 24761358
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,4-difluorophenyl)acetamide
CID 50821545
3-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 155555895
1-(3-chloro-2-methylanilino)-7-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421196
10-(2,4-Dichlorobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 745092
(Z)-4-Benzylidene-1-(4-chlorophenyl)-2-propylamino-1H-imidazol-5(4H)-one
CID 135432495

Frequently Asked Questions

What is the IUPAC name of 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one (CID 45031435) is 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one is CCc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1.
What is the InChIKey of 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is DEJFOAOMWNYSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-2-14-11-18(24)23-17-10-6-5-9-16(17)22(19(23)21-14)12-13-7-3-4-8-15(13)20/h3-11H,2,12H2,1H3.
What are the key properties of 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one?
10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 337.81 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-chlorophenyl)methyl]-2-ethylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 45031435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).