3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile

C15H20N4O — CID 82311096

IUPAC3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1c(C(C)N(C)C)nc2cc(O)ccc21
InChIInChI=1S/C15H20N4O/c1-10(8-16)9-19-14-6-5-12(20)7-13(14)17-15(19)11(2)18(3)4/h5-7,10-11,20H,9H2,1-4H3
InChIKeyZIYPKZZWNOXOIU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile

3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile (PubChem CID 82311096) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile
PubChem CID82311096
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1c(C(C)N(C)C)nc2cc(O)ccc21
InChIInChI=1S/C15H20N4O/c1-10(8-16)9-19-14-6-5-12(20)7-13(14)17-15(19)11(2)18(3)4/h5-7,10-11,20H,9H2,1-4H3
InChIKeyZIYPKZZWNOXOIU-UHFFFAOYSA-N
XLogP2.52
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-2-[1-(diethylamino)ethyl]benzimidazol-5-ol
CID 82310659
2-methyl-3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanenitrile
CID 82145842
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 82310954
3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145962
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145975
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile (CID 82311096) is 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile is CC(C#N)Cn1c(C(C)N(C)C)nc2cc(O)ccc21.
What is the InChIKey of 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile?
The InChIKey is ZIYPKZZWNOXOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(8-16)9-19-14-6-5-12(20)7-13(14)17-15(19)11(2)18(3)4/h5-7,10-11,20H,9H2,1-4H3.
What are the key properties of 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile?
3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile has a molecular weight of 272.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(dimethylamino)ethyl]-5-hydroxybenzimidazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 82311096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).