2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile

C14H18N4 — CID 63640682

IUPAC2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
SMILESCC(C)NCCn1c(CC#N)nc2ccccc21
InChIInChI=1S/C14H18N4/c1-11(2)16-9-10-18-13-6-4-3-5-12(13)17-14(18)7-8-15/h3-6,11,16H,7,9-10H2,1-2H3
InChIKeyLDWLWHSAIIFFMU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile

2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile (PubChem CID 63640682) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
PubChem CID63640682
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
SMILESCC(C)NCCn1c(CC#N)nc2ccccc21
InChIInChI=1S/C14H18N4/c1-11(2)16-9-10-18-13-6-4-3-5-12(13)17-14(18)7-8-15/h3-6,11,16H,7,9-10H2,1-2H3
InChIKeyLDWLWHSAIIFFMU-UHFFFAOYSA-N
XLogP2.10
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(methylamino)propanenitrile
CID 63641541
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254930
2-[1-(2-hydroxybutyl)benzimidazol-2-yl]acetonitrile
CID 63638431
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile
CID 63639152
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 63105832

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile (CID 63640682) is 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile is CC(C)NCCn1c(CC#N)nc2ccccc21.
What is the InChIKey of 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is LDWLWHSAIIFFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11(2)16-9-10-18-13-6-4-3-5-12(13)17-14(18)7-8-15/h3-6,11,16H,7,9-10H2,1-2H3.
What are the key properties of 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile?
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63640682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).