1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile

C14H12ClN5 — CID 115944623

IUPAC1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
SMILESCC(N)C(c1ccc(Cl)cc1)n1cnc(C#N)c1C#N
InChIInChI=1S/C14H12ClN5/c1-9(18)14(10-2-4-11(15)5-3-10)20-8-19-12(6-16)13(20)7-17/h2-5,8-9,14H,18H2,1H3
InChIKeyQCIFLHRCVYRAQP-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile

1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944623) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
PubChem CID115944623
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
SMILESCC(N)C(c1ccc(Cl)cc1)n1cnc(C#N)c1C#N
InChIInChI=1S/C14H12ClN5/c1-9(18)14(10-2-4-11(15)5-3-10)20-8-19-12(6-16)13(20)7-17/h2-5,8-9,14H,18H2,1H3
InChIKeyQCIFLHRCVYRAQP-UHFFFAOYSA-N
XLogP2.22
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-1-(4-methoxyphenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944586
1-[2-amino-1-(5-chlorothiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594940
1-[2-amino-1-(3-methylthiophen-2-yl)propyl]imidazole-4,5-dicarbonitrile
CID 112594889
1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 12947421
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
1-(3-oxobutan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595248
1-[1-(3-chlorophenyl)-1-oxopropan-2-yl]imidazole-4,5-dicarbonitrile
CID 115944787
1-pentan-2-ylimidazole-4,5-dicarbonitrile
CID 107887293
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
2-(4,5-dicyanoimidazol-1-yl)-2-phenylacetic acid
CID 112594969
1-[2-amino-1-(3-methoxyphenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 115944592
1-[2-amino-1-(4-fluorophenyl)propyl]-1,2,4-triazole-3-carbonitrile
CID 55157545

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile (CID 115944623) is 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile is CC(N)C(c1ccc(Cl)cc1)n1cnc(C#N)c1C#N.
What is the InChIKey of 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile?
The InChIKey is QCIFLHRCVYRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9(18)14(10-2-4-11(15)5-3-10)20-8-19-12(6-16)13(20)7-17/h2-5,8-9,14H,18H2,1H3.
What are the key properties of 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile?
1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile has a molecular weight of 285.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).