1-benzyl-5-(methylamino)imidazole-4-carbonitrile

C12H12N4 — CID 10774900

IUPAC1-benzyl-5-(methylamino)imidazole-4-carbonitrile
SMILESCNc1c(C#N)ncn1Cc1ccccc1
InChIInChI=1S/C12H12N4/c1-14-12-11(7-13)15-9-16(12)8-10-5-3-2-4-6-10/h2-6,9,14H,8H2,1H3
InChIKeyNIDVHTGRIJEQJT-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.84
Rot. Bonds3

About 1-benzyl-5-(methylamino)imidazole-4-carbonitrile

1-benzyl-5-(methylamino)imidazole-4-carbonitrile (PubChem CID 10774900) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-benzyl-5-(methylamino)imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-(methylamino)imidazole-4-carbonitrile
PubChem CID10774900
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-benzyl-5-(methylamino)imidazole-4-carbonitrile
SMILESCNc1c(C#N)ncn1Cc1ccccc1
InChIInChI=1S/C12H12N4/c1-14-12-11(7-13)15-9-16(12)8-10-5-3-2-4-6-10/h2-6,9,14H,8H2,1H3
InChIKeyNIDVHTGRIJEQJT-UHFFFAOYSA-N
XLogP1.84
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-benzyl-5-cyanoimidazol-4-yl)butanimidate
CID 91014032
3-benzyl-4-(methylamino)-2-oxo-1H-imidazole-5-carbonitrile
CID 10513541
1-[(3-cyanophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595123
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532
5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
CID 14953228
3-[(4,5-dicyanoimidazol-1-yl)methyl]benzoic acid
CID 112595010
1-benzyl-7-methylbenzimidazole
CID 10933051
N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide
CID 75508724
1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
3-benzyl-5-ethylimidazol-4-amine
CID 58192367

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(methylamino)imidazole-4-carbonitrile?
The IUPAC name of 1-benzyl-5-(methylamino)imidazole-4-carbonitrile (CID 10774900) is 1-benzyl-5-(methylamino)imidazole-4-carbonitrile.
What is the SMILES notation for 1-benzyl-5-(methylamino)imidazole-4-carbonitrile?
The canonical SMILES for 1-benzyl-5-(methylamino)imidazole-4-carbonitrile is CNc1c(C#N)ncn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(methylamino)imidazole-4-carbonitrile?
The InChIKey is NIDVHTGRIJEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-14-12-11(7-13)15-9-16(12)8-10-5-3-2-4-6-10/h2-6,9,14H,8H2,1H3.
What are the key properties of 1-benzyl-5-(methylamino)imidazole-4-carbonitrile?
1-benzyl-5-(methylamino)imidazole-4-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(methylamino)imidazole-4-carbonitrile is sourced from PubChem (CID 10774900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).