2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide

C25H30N4O2 — CID 91184974

IUPAC2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1c(=O)n(C2(C)CCN(C3CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-17(23(26)30)28-21-9-5-6-10-22(21)29(24(28)31)25(2)13-15-27(16-14-25)20-12-11-18-7-3-4-8-19(18)20/h3-10,17,20H,11-16H2,1-2H3,(H2,26,30)
InChIKeyGBEXCFHXZPKCIY-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.35
Rot. Bonds4

About 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide

2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide (PubChem CID 91184974) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide
PubChem CID91184974
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1c(=O)n(C2(C)CCN(C3CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-17(23(26)30)28-21-9-5-6-10-22(21)29(24(28)31)25(2)13-15-27(16-14-25)20-12-11-18-7-3-4-8-19(18)20/h3-10,17,20H,11-16H2,1-2H3,(H2,26,30)
InChIKeyGBEXCFHXZPKCIY-UHFFFAOYSA-N
XLogP3.35
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
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1-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethylpiperidin-4-amine
CID 113282872
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
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4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
1-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 175823470
N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
CID 65069110
1-[4-(2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]ethanamine
CID 115314989
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
3-(2,3-dihydro-1H-inden-1-yl)-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide?
The IUPAC name of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide (CID 91184974) is 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide.
What is the SMILES notation for 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide?
The canonical SMILES for 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide is CC(C(N)=O)n1c(=O)n(C2(C)CCN(C3CCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide?
The InChIKey is GBEXCFHXZPKCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(23(26)30)28-21-9-5-6-10-22(21)29(24(28)31)25(2)13-15-27(16-14-25)20-12-11-18-7-3-4-8-19(18)20/h3-10,17,20H,11-16H2,1-2H3,(H2,26,30).
What are the key properties of 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide?
2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]propanamide is sourced from PubChem (CID 91184974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).