N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine

C14H14Cl2N4 — CID 176988455

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine
SMILESC=C(Cl)CC1N=C(N/N=C/c2ccc(Cl)cc2)NC1=C
InChIInChI=1S/C14H14Cl2N4/c1-9(15)7-13-10(2)18-14(19-13)20-17-8-11-3-5-12(16)6-4-11/h3-6,8,13H,1-2,7H2,(H2,18,19,20)/b17-8+
InChIKeyOPGZHGYZKSDMPY-CAOOACKPSA-N
MW309.20 g/mol
LogP3.25
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine

N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine (PubChem CID 176988455) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine
PubChem CID176988455
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine
SMILESC=C(Cl)CC1N=C(N/N=C/c2ccc(Cl)cc2)NC1=C
InChIInChI=1S/C14H14Cl2N4/c1-9(15)7-13-10(2)18-14(19-13)20-17-8-11-3-5-12(16)6-4-11/h3-6,8,13H,1-2,7H2,(H2,18,19,20)/b17-8+
InChIKeyOPGZHGYZKSDMPY-CAOOACKPSA-N
XLogP3.25
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.25
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine (CID 176988455) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine is C=C(Cl)CC1N=C(N/N=C/c2ccc(Cl)cc2)NC1=C.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine?
The InChIKey is OPGZHGYZKSDMPY-CAOOACKPSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-9(15)7-13-10(2)18-14(19-13)20-17-8-11-3-5-12(16)6-4-11/h3-6,8,13H,1-2,7H2,(H2,18,19,20)/b17-8+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine has a molecular weight of 309.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-chloroprop-2-enyl)-5-methylidene-1,4-dihydroimidazol-2-amine is sourced from PubChem (CID 176988455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).