3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile

C15H19N3 — CID 82145106

IUPAC3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
SMILESCc1cc2nc(C(C)C)n(CCC#N)c2cc1C
InChIInChI=1S/C15H19N3/c1-10(2)15-17-13-8-11(3)12(4)9-14(13)18(15)7-5-6-16/h8-10H,5,7H2,1-4H3
InChIKeyAJWMKZCPRGHJAC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.69
Rot. Bonds3

About 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile

3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile (PubChem CID 82145106) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
PubChem CID82145106
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
SMILESCc1cc2nc(C(C)C)n(CCC#N)c2cc1C
InChIInChI=1S/C15H19N3/c1-10(2)15-17-13-8-11(3)12(4)9-14(13)18(15)7-5-6-16/h8-10H,5,7H2,1-4H3
InChIKeyAJWMKZCPRGHJAC-UHFFFAOYSA-N
XLogP3.69
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82146003
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanenitrile
CID 82145847
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 82145204
4-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanenitrile
CID 82150513
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464
4-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)butanenitrile
CID 82150457
3-(5,6-dimethoxy-2-methylbenzimidazol-1-yl)propanenitrile
CID 82145410
4-[5,6-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]butanenitrile
CID 82150474
4-[2-(3,4-difluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150475
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82024893

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile?
The IUPAC name of 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile (CID 82145106) is 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile?
The canonical SMILES for 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile is Cc1cc2nc(C(C)C)n(CCC#N)c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile?
The InChIKey is AJWMKZCPRGHJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(2)15-17-13-8-11(3)12(4)9-14(13)18(15)7-5-6-16/h8-10H,5,7H2,1-4H3.
What are the key properties of 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile?
3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile has a molecular weight of 241.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile is sourced from PubChem (CID 82145106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).