2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

C24H28N4O3 — CID 59322913

IUPAC2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCOc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-25-23(29)16-27-20-7-3-4-8-21(20)28(24(27)30)17-10-13-26(14-11-17)19-12-15-31-22-9-5-2-6-18(19)22/h2-9,17,19H,10-16H2,1H3,(H,25,29)
InChIKeyHZJVWLASRLBZGZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.71
Rot. Bonds4

About 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 59322913) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID59322913
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCOc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-25-23(29)16-27-20-7-3-4-8-21(20)28(24(27)30)17-10-13-26(14-11-17)19-12-15-31-22-9-5-2-6-18(19)22/h2-9,17,19H,10-16H2,1H3,(H,25,29)
InChIKeyHZJVWLASRLBZGZ-UHFFFAOYSA-N
XLogP2.71
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059296
2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68700743
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
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-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68703904
1-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylpiperidin-4-amine
CID 115303934
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110741036
1-[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110400059
1-[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110400041
tert-butyl 4-[3-(3-bromopropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 71650694

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 59322913) is 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCOc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is HZJVWLASRLBZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-25-23(29)16-27-20-7-3-4-8-21(20)28(24(27)30)17-10-13-26(14-11-17)19-12-15-31-22-9-5-2-6-18(19)22/h2-9,17,19H,10-16H2,1H3,(H,25,29).
What are the key properties of 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 420.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 59322913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).