5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one

C15H23N3O — CID 82174370

IUPAC5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one
SMILESCCCC(N)c1ccc2c(c1)n(CC)c(=O)n2CC
InChIInChI=1S/C15H23N3O/c1-4-7-12(16)11-8-9-13-14(10-11)18(6-3)15(19)17(13)5-2/h8-10,12H,4-7,16H2,1-3H3
InChIKeyWLFAOXAZCISFNE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.64
Rot. Bonds5

About 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one

5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one (PubChem CID 82174370) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one
PubChem CID82174370
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one
SMILESCCCC(N)c1ccc2c(c1)n(CC)c(=O)n2CC
InChIInChI=1S/C15H23N3O/c1-4-7-12(16)11-8-9-13-14(10-11)18(6-3)15(19)17(13)5-2/h8-10,12H,4-7,16H2,1-3H3
InChIKeyWLFAOXAZCISFNE-UHFFFAOYSA-N
XLogP2.64
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one
CID 82174386
5-(1-aminohexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300256
5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one
CID 82172290
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
CID 171232656
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
5-[(1R)-1-aminobutyl]-2-bromoaniline
CID 131106140
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1R)-1-(9-ethylcarbazol-3-yl)pentane-1,5-diamine
CID 171213041

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one?
The IUPAC name of 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one (CID 82174370) is 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one?
The canonical SMILES for 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one is CCCC(N)c1ccc2c(c1)n(CC)c(=O)n2CC.
What is the InChIKey of 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one?
The InChIKey is WLFAOXAZCISFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-7-12(16)11-8-9-13-14(10-11)18(6-3)15(19)17(13)5-2/h8-10,12H,4-7,16H2,1-3H3.
What are the key properties of 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one?
5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-1,3-diethylbenzimidazol-2-one is sourced from PubChem (CID 82174370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).