2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile

C12H13N3 — CID 55247145

IUPAC2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
SMILESCC(C)n1c(CC#N)nc2ccccc21
InChIInChI=1S/C12H13N3/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6,9H,7H2,1-2H3
InChIKeyCPJOZZNFICMUAT-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.68
Rot. Bonds2

About 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile

2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile (PubChem CID 55247145) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
PubChem CID55247145
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
SMILESCC(C)n1c(CC#N)nc2ccccc21
InChIInChI=1S/C12H13N3/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6,9H,7H2,1-2H3
InChIKeyCPJOZZNFICMUAT-UHFFFAOYSA-N
XLogP2.68
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-but-3-en-2-ylbenzimidazol-2-yl)acetonitrile
CID 63637927
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 82333725
2-(1-heptan-3-ylbenzimidazol-2-yl)acetonitrile
CID 123409939
2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 63638092
2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
CID 112710780
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methoxypropanehydrazide
CID 103229872

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile (CID 55247145) is 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile is CC(C)n1c(CC#N)nc2ccccc21.
What is the InChIKey of 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
The InChIKey is CPJOZZNFICMUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-8-13/h3-6,9H,7H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 55247145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).