1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile

C13H11N5 — CID 112595275

IUPAC1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
SMILESCc1cc(CN)ccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C13H11N5/c1-9-4-10(5-14)2-3-12(9)18-8-17-11(6-15)13(18)7-16/h2-4,8H,5,14H2,1H3
InChIKeyOSDMBGOWADFMPV-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.38
Rot. Bonds2

About 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile

1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595275) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
PubChem CID112595275
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
SMILESCc1cc(CN)ccc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C13H11N5/c1-9-4-10(5-14)2-3-12(9)18-8-17-11(6-15)13(18)7-16/h2-4,8H,5,14H2,1H3
InChIKeyOSDMBGOWADFMPV-UHFFFAOYSA-N
XLogP1.38
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287638
1-[4-[(tert-butylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944857
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944874
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
3-amino-4-(4,5-dicyanoimidazol-1-yl)benzenesulfonamide
CID 115944543
1-(5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595750
1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944700
1-[2-(aminomethyl)-6-chlorophenyl]imidazole-4,5-dicarbonitrile
CID 114069167
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile (CID 112595275) is 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile is Cc1cc(CN)ccc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile?
The InChIKey is OSDMBGOWADFMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-9-4-10(5-14)2-3-12(9)18-8-17-11(6-15)13(18)7-16/h2-4,8H,5,14H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile?
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile has a molecular weight of 237.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).