N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C21H20Cl2N4 — CID 21417097

IUPACN-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NN=C(/C=C/c2ccc(Cl)cc2)/C=C/c2ccc(Cl)cc2)N1
InChIInChI=1S/C21H20Cl2N4/c1-15-14-24-21(25-15)27-26-20(12-6-16-2-8-18(22)9-3-16)13-7-17-4-10-19(23)11-5-17/h2-13,15H,14H2,1H3,(H2,24,25,27)/b12-6+,13-7+
InChIKeyJUQYTUVPBNQKGF-PWHKKFIBSA-N
MW399.33 g/mol
LogP5.01
Rot. Bonds5

About N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 21417097) has the molecular formula C21H20Cl2N4 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID21417097
Molecular FormulaC21H20Cl2N4
Molecular Weight399.33 g/mol
Exact Mass398.11
IUPAC NameN-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NN=C(/C=C/c2ccc(Cl)cc2)/C=C/c2ccc(Cl)cc2)N1
InChIInChI=1S/C21H20Cl2N4/c1-15-14-24-21(25-15)27-26-20(12-6-16-2-8-18(22)9-3-16)13-7-17-4-10-19(23)11-5-17/h2-13,15H,14H2,1H3,(H2,24,25,27)/b12-6+,13-7+
InChIKeyJUQYTUVPBNQKGF-PWHKKFIBSA-N
XLogP5.01
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 21417097) is N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NN=C(/C=C/c2ccc(Cl)cc2)/C=C/c2ccc(Cl)cc2)N1.
What is the InChIKey of N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JUQYTUVPBNQKGF-PWHKKFIBSA-N. The full InChI is InChI=1S/C21H20Cl2N4/c1-15-14-24-21(25-15)27-26-20(12-6-16-2-8-18(22)9-3-16)13-7-17-4-10-19(23)11-5-17/h2-13,15H,14H2,1H3,(H2,24,25,27)/b12-6+,13-7+.
What are the key properties of N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 399.33 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 21417097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).