3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one

C15H23N3O2 — CID 115666909

IUPAC3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one
SMILESCC(O)CCN(C)CCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H23N3O2/c1-12(19)8-11-17(2)9-5-10-18-14-7-4-3-6-13(14)16-15(18)20/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,16,20)
InChIKeyAJXFIOWQUGINTB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.42
Rot. Bonds7

About 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one

3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one (PubChem CID 115666909) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one
PubChem CID115666909
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one
SMILESCC(O)CCN(C)CCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H23N3O2/c1-12(19)8-11-17(2)9-5-10-18-14-7-4-3-6-13(14)16-15(18)20/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,16,20)
InChIKeyAJXFIOWQUGINTB-UHFFFAOYSA-N
XLogP1.42
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one
CID 135875154
3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one
CID 79379451
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
CID 70523740
CID 70523740
3-[4-[ethyl(methyl)amino]butan-2-yl]-1H-benzimidazol-2-one
CID 70938204
2-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid
CID 81222378
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one (CID 115666909) is 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one is CC(O)CCN(C)CCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one?
The InChIKey is AJXFIOWQUGINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(19)8-11-17(2)9-5-10-18-14-7-4-3-6-13(14)16-15(18)20/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,16,20).
What are the key properties of 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one?
3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 115666909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).