2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile

C13H15N3 — CID 141309981

IUPAC2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile
SMILESCC(C#N)C1(C)CN=C(c2ccccc2)N1
InChIInChI=1S/C13H15N3/c1-10(8-14)13(2)9-15-12(16-13)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3,(H,15,16)
InChIKeyVBPFYJVTYFRAFA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.95
Rot. Bonds2

About 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile

2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile (PubChem CID 141309981) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile
PubChem CID141309981
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile
SMILESCC(C#N)C1(C)CN=C(c2ccccc2)N1
InChIInChI=1S/C13H15N3/c1-10(8-14)13(2)9-15-12(16-13)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3,(H,15,16)
InChIKeyVBPFYJVTYFRAFA-UHFFFAOYSA-N
XLogP1.95
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-phenyl-5-(4-phenylphenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10222571
3-[5-[4-(dimethylamino)phenyl]-5-phenyl-1,4-dihydroimidazol-2-yl]benzonitrile
CID 10292354
2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile
CID 79129299
bis(acetonitrile);1,1'-biphenyl
CID 175366291
4,4,6,6-tetrafluoro-2-phenyl-1,5-dihydropyrimidine
CID 141467271
2-(N-methyl-4-phenylanilino)propanenitrile
CID 115129991
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
CID 57149183
5-bromo-1-methyl-2-phenylcyclohexa-2,4-diene-1-carbonitrile
CID 172814310
5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 10321281
6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 58588586
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
2-(4-phenylpyrazol-1-yl)propanenitrile
CID 62772199

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile?
The IUPAC name of 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile (CID 141309981) is 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile is CC(C#N)C1(C)CN=C(c2ccccc2)N1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile?
The InChIKey is VBPFYJVTYFRAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(8-14)13(2)9-15-12(16-13)11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile?
2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile has a molecular weight of 213.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,4-dihydroimidazol-5-yl)propanenitrile is sourced from PubChem (CID 141309981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).