4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile

C19H18N4 — CID 51362157

IUPAC4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
SMILESCc1ccc(-c2cnc(NCc3ccc(C#N)cc3)n2C)cc1
InChIInChI=1S/C19H18N4/c1-14-3-9-17(10-4-14)18-13-22-19(23(18)2)21-12-16-7-5-15(11-20)6-8-16/h3-10,13H,12H2,1-2H3,(H,21,22)
InChIKeyYVHVYYAYVZKCFK-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.88
Rot. Bonds4

About 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile

4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile (PubChem CID 51362157) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
PubChem CID51362157
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
SMILESCc1ccc(-c2cnc(NCc3ccc(C#N)cc3)n2C)cc1
InChIInChI=1S/C19H18N4/c1-14-3-9-17(10-4-14)18-13-22-19(23(18)2)21-12-16-7-5-15(11-20)6-8-16/h3-10,13H,12H2,1-2H3,(H,21,22)
InChIKeyYVHVYYAYVZKCFK-UHFFFAOYSA-N
XLogP3.88
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile (CID 51362157) is 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile is Cc1ccc(-c2cnc(NCc3ccc(C#N)cc3)n2C)cc1.
What is the InChIKey of 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile?
The InChIKey is YVHVYYAYVZKCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-14-3-9-17(10-4-14)18-13-22-19(23(18)2)21-12-16-7-5-15(11-20)6-8-16/h3-10,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile?
4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile has a molecular weight of 302.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 51362157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).