1-(2-aminobutyl)-3-ethylbenzimidazol-2-one

C13H19N3O — CID 82168070

IUPAC1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
SMILESCCC(N)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-3-10(14)9-16-12-8-6-5-7-11(12)15(4-2)13(16)17/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyNLYBBXGMRQGXGW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.56
Rot. Bonds4

About 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one

1-(2-aminobutyl)-3-ethylbenzimidazol-2-one (PubChem CID 82168070) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
PubChem CID82168070
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
SMILESCCC(N)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-3-10(14)9-16-12-8-6-5-7-11(12)15(4-2)13(16)17/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyNLYBBXGMRQGXGW-UHFFFAOYSA-N
XLogP1.56
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
CID 115663107
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
1-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-3-ethylbenzimidazol-2-one
CID 52566018
2-[3-[(2R)-2-hydroxybutyl]-2-oxobenzimidazol-1-yl]acetic acid
CID 95735437
2-ethyl-4-(3-ethyl-2-oxobenzimidazol-1-yl)but-2-enoic acid
CID 77102171
1-ethyl-3-(2-phenylsulfanylethyl)benzimidazol-2-one
CID 116621256

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one (CID 82168070) is 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one is CCC(N)Cn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one?
The InChIKey is NLYBBXGMRQGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10(14)9-16-12-8-6-5-7-11(12)15(4-2)13(16)17/h5-8,10H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one?
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 82168070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).