1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one

C20H21N3O2 — CID 112835829

IUPAC1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCc3cccc(C)c32)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-3-21-16-9-4-5-10-17(16)23(20(21)25)13-18(24)22-12-11-15-8-6-7-14(2)19(15)22/h4-10H,3,11-13H2,1-2H3
InChIKeyYLUMEHVSNCWTID-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.72
Rot. Bonds3

About 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one

1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one (PubChem CID 112835829) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
PubChem CID112835829
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2CCc3cccc(C)c32)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-3-21-16-9-4-5-10-17(16)23(20(21)25)13-18(24)22-12-11-15-8-6-7-14(2)19(15)22/h4-10H,3,11-13H2,1-2H3
InChIKeyYLUMEHVSNCWTID-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 55480391
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 97072547
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835828
N,N,7-trimethyl-2,3-dihydroindole-1-carboxamide
CID 167015485
1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 100745931
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one (CID 112835829) is 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2CCc3cccc(C)c32)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
The InChIKey is YLUMEHVSNCWTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-21-16-9-4-5-10-17(16)23(20(21)25)13-18(24)22-12-11-15-8-6-7-14(2)19(15)22/h4-10H,3,11-13H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 112835829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).