4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one

C17H25N3O — CID 82333098

IUPAC4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
SMILESCCCCC(N)c1nc2cc(C)ccc2n1CCC(C)=O
InChIInChI=1S/C17H25N3O/c1-4-5-6-14(18)17-19-15-11-12(2)7-8-16(15)20(17)10-9-13(3)21/h7-8,11,14H,4-6,9-10,18H2,1-3H3
InChIKeyNPJDBAXNWICDCN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.51
Rot. Bonds7

About 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one

4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one (PubChem CID 82333098) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
PubChem CID82333098
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
SMILESCCCCC(N)c1nc2cc(C)ccc2n1CCC(C)=O
InChIInChI=1S/C17H25N3O/c1-4-5-6-14(18)17-19-15-11-12(2)7-8-16(15)20(17)10-9-13(3)21/h7-8,11,14H,4-6,9-10,18H2,1-3H3
InChIKeyNPJDBAXNWICDCN-UHFFFAOYSA-N
XLogP3.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
4-[2-(1-aminoethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333004
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558
4-[5-methyl-1-(3-oxobutyl)benzimidazol-2-yl]butanoic acid
CID 82332889
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one?
The IUPAC name of 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one (CID 82333098) is 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one.
What is the SMILES notation for 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one?
The canonical SMILES for 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one is CCCCC(N)c1nc2cc(C)ccc2n1CCC(C)=O.
What is the InChIKey of 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one?
The InChIKey is NPJDBAXNWICDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-5-6-14(18)17-19-15-11-12(2)7-8-16(15)20(17)10-9-13(3)21/h7-8,11,14H,4-6,9-10,18H2,1-3H3.
What are the key properties of 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one?
4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one is sourced from PubChem (CID 82333098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).