2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile

C18H17N3 — CID 177235752

IUPAC2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile
SMILESCC1NC=CN1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C18H17N3/c1-14-20-10-11-21(14)13-15-6-8-16(9-7-15)18-5-3-2-4-17(18)12-19/h2-11,14,20H,13H2,1H3
InChIKeyZPJOMNSCVIPKIF-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.45
Rot. Bonds3

About 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile

2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile (PubChem CID 177235752) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile
PubChem CID177235752
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile
SMILESCC1NC=CN1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C18H17N3/c1-14-20-10-11-21(14)13-15-6-8-16(9-7-15)18-5-3-2-4-17(18)12-19/h2-11,14,20H,13H2,1H3
InChIKeyZPJOMNSCVIPKIF-UHFFFAOYSA-N
XLogP3.45
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile (CID 177235752) is 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile is CC1NC=CN1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile?
The InChIKey is ZPJOMNSCVIPKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-20-10-11-21(14)13-15-6-8-16(9-7-15)18-5-3-2-4-17(18)12-19/h2-11,14,20H,13H2,1H3.
What are the key properties of 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile?
2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 177235752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).