1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one

C25H32N4O — CID 59322987

IUPAC1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
SMILESCNCCn1c(=O)n(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H32N4O/c1-26-15-18-28-23-10-4-5-11-24(23)29(25(28)30)20-13-16-27(17-14-20)22-12-6-8-19-7-2-3-9-21(19)22/h2-5,7,9-11,20,22,26H,6,8,12-18H2,1H3
InChIKeyMMUHJUCHDUPMLR-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one

1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 59322987) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
PubChem CID59322987
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
SMILESCNCCn1c(=O)n(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H32N4O/c1-26-15-18-28-23-10-4-5-11-24(23)29(25(28)30)20-13-16-27(17-14-20)22-12-6-8-19-7-2-3-9-21(19)22/h2-5,7,9-11,20,22,26H,6,8,12-18H2,1H3
InChIKeyMMUHJUCHDUPMLR-UHFFFAOYSA-N
XLogP3.74
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
CID 21186512
2-[3-[1-(5-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322995
2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide
CID 59323001
2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68700743
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322913
2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059296
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-[1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 71865883
1-[1-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 96522461
N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one (CID 59322987) is 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one is CNCCn1c(=O)n(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is MMUHJUCHDUPMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-26-15-18-28-23-10-4-5-11-24(23)29(25(28)30)20-13-16-27(17-14-20)22-12-6-8-19-7-2-3-9-21(19)22/h2-5,7,9-11,20,22,26H,6,8,12-18H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one?
1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 404.56 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 59322987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).