3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile

C15H17N5 — CID 63639152

IUPAC3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile
SMILESCCNC(C)(C#N)Cn1c(CC#N)nc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-18-15(2,10-17)11-20-13-7-5-4-6-12(13)19-14(20)8-9-16/h4-7,18H,3,8,11H2,1-2H3
InChIKeyWCWINAPWWIFNCF-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.99
Rot. Bonds5

About 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile

3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile (PubChem CID 63639152) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile
PubChem CID63639152
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile
SMILESCCNC(C)(C#N)Cn1c(CC#N)nc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-18-15(2,10-17)11-20-13-7-5-4-6-12(13)19-14(20)8-9-16/h4-7,18H,3,8,11H2,1-2H3
InChIKeyWCWINAPWWIFNCF-UHFFFAOYSA-N
XLogP1.99
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436
5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254930
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-(2-hydroxybutyl)benzimidazol-2-yl]acetonitrile
CID 63638431
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(methylamino)propanenitrile
CID 63641541
6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63107297
2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640515
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile?
The IUPAC name of 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile (CID 63639152) is 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile is CCNC(C)(C#N)Cn1c(CC#N)nc2ccccc21.
What is the InChIKey of 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile?
The InChIKey is WCWINAPWWIFNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-18-15(2,10-17)11-20-13-7-5-4-6-12(13)19-14(20)8-9-16/h4-7,18H,3,8,11H2,1-2H3.
What are the key properties of 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile?
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile has a molecular weight of 267.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile is sourced from PubChem (CID 63639152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).