2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile

C13H14N4 — CID 98009878

IUPAC2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
SMILESCc1nc(N)c(CC#N)n1Cc1ccccc1
InChIInChI=1S/C13H14N4/c1-10-16-13(15)12(7-8-14)17(10)9-11-5-3-2-4-6-11/h2-6H,7,9,15H2,1H3
InChIKeyQWFUPFQEJYKGIN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile

2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile (PubChem CID 98009878) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
PubChem CID98009878
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
SMILESCc1nc(N)c(CC#N)n1Cc1ccccc1
InChIInChI=1S/C13H14N4/c1-10-16-13(15)12(7-8-14)17(10)9-11-5-3-2-4-6-11/h2-6H,7,9,15H2,1H3
InChIKeyQWFUPFQEJYKGIN-UHFFFAOYSA-N
XLogP1.89
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
2-[3-benzyl-5-chloro-2-(4-fluorophenyl)imidazol-4-yl]acetonitrile
CID 139725996
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
3-benzyl-5-tert-butyl-2-methylimidazol-4-amine
CID 62225821
2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
CID 15099395
3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine
CID 55048678
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CID 3228152
2-[3-benzyl-5-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)imidazol-4-yl]acetonitrile
CID 13075834
N-[4-[1-benzyl-4-chloro-5-(cyanomethyl)imidazol-2-yl]phenyl]butanamide
CID 13075835
2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075860
6-amino-9-benzyl-8-methyl-1H-purine-2-thione
CID 90376874
1-benzylbenzimidazole-2-carbonitrile
CID 15363638

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile (CID 98009878) is 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile is Cc1nc(N)c(CC#N)n1Cc1ccccc1.
What is the InChIKey of 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile?
The InChIKey is QWFUPFQEJYKGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-10-16-13(15)12(7-8-14)17(10)9-11-5-3-2-4-6-11/h2-6H,7,9,15H2,1H3.
What are the key properties of 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile?
2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile has a molecular weight of 226.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 98009878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).