1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one

C20H21N3O2 — CID 16590199

IUPAC1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CCC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-21-17-10-4-5-11-18(17)23(20(21)25)14-12-19(24)22-13-6-8-15-7-2-3-9-16(15)22/h2-5,7,9-11H,6,8,12-14H2,1H3
InChIKeyOEKPDLYLAKBPIG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds3

About 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one

1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one (PubChem CID 16590199) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
PubChem CID16590199
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CCC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-21-17-10-4-5-11-18(17)23(20(21)25)14-12-19(24)22-13-6-8-15-7-2-3-9-16(15)22/h2-5,7,9-11H,6,8,12-14H2,1H3
InChIKeyOEKPDLYLAKBPIG-UHFFFAOYSA-N
XLogP2.71
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 55480391
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 100745931
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 2906615
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one (CID 16590199) is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CCC(=O)N2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
The InChIKey is OEKPDLYLAKBPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-21-17-10-4-5-11-18(17)23(20(21)25)14-12-19(24)22-13-6-8-15-7-2-3-9-16(15)22/h2-5,7,9-11H,6,8,12-14H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one?
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 16590199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).