4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one

C16H22N4O — CID 19989867

IUPAC4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
SMILESCCN1CC(CCN(C)C)c2nc3ccccc3n2C1=O
InChIInChI=1S/C16H22N4O/c1-4-19-11-12(9-10-18(2)3)15-17-13-7-5-6-8-14(13)20(15)16(19)21/h5-8,12H,4,9-11H2,1-3H3
InChIKeyKVCMZSYFXAPPHC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one

4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one (PubChem CID 19989867) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
PubChem CID19989867
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
SMILESCCN1CC(CCN(C)C)c2nc3ccccc3n2C1=O
InChIInChI=1S/C16H22N4O/c1-4-19-11-12(9-10-18(2)3)15-17-13-7-5-6-8-14(13)20(15)16(19)21/h5-8,12H,4,9-11H2,1-3H3
InChIKeyKVCMZSYFXAPPHC-UHFFFAOYSA-N
XLogP2.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
CID 67908491
4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
CID 19989890
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296
2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17002492
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002398
1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one (CID 19989867) is 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one is CCN1CC(CCN(C)C)c2nc3ccccc3n2C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
The InChIKey is KVCMZSYFXAPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19-11-12(9-10-18(2)3)15-17-13-7-5-6-8-14(13)20(15)16(19)21/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one is sourced from PubChem (CID 19989867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).