1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one

C22H25N3O2 — CID 55480391

IUPAC1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CCCc3cccc(C)c32)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-3-23-18-11-4-5-12-19(18)24(22(23)27)15-13-20(26)25-14-7-10-17-9-6-8-16(2)21(17)25/h4-6,8-9,11-12H,3,7,10,13-15H2,1-2H3
InChIKeyBQPULOBVZOSRKK-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.50
Rot. Bonds4

About 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one

1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one (PubChem CID 55480391) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
PubChem CID55480391
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CCCc3cccc(C)c32)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-3-23-18-11-4-5-12-19(18)24(22(23)27)15-13-20(26)25-14-7-10-17-9-6-8-16(2)21(17)25/h4-6,8-9,11-12H,3,7,10,13-15H2,1-2H3
InChIKeyBQPULOBVZOSRKK-UHFFFAOYSA-N
XLogP3.50
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one with MolForge

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Related Compounds

1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 112835829
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 100745931
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55480720
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18285888
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 16591562

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one (CID 55480391) is 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one is CCn1c(=O)n(CCC(=O)N2CCCc3cccc(C)c32)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one?
The InChIKey is BQPULOBVZOSRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-23-18-11-4-5-12-19(18)24(22(23)27)15-13-20(26)25-14-7-10-17-9-6-8-16(2)21(17)25/h4-6,8-9,11-12H,3,7,10,13-15H2,1-2H3.
What are the key properties of 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one?
1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one is sourced from PubChem (CID 55480391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).