1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine

C16H11Cl2N5O2 — CID 23794709

IUPAC1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine
SMILESNc1nc(-c2cccc([N+](=O)[O-])c2)cn1N=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N5O2/c17-12-5-4-11(14(18)7-12)8-20-22-9-15(21-16(22)19)10-2-1-3-13(6-10)23(24)25/h1-9H,(H2,19,21)
InChIKeyPDRACZLPBQCPDO-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.23
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine

1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine (PubChem CID 23794709) has the molecular formula C16H11Cl2N5O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine
PubChem CID23794709
Molecular FormulaC16H11Cl2N5O2
Molecular Weight376.20 g/mol
Exact Mass375.03
IUPAC Name1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine
SMILESNc1nc(-c2cccc([N+](=O)[O-])c2)cn1N=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N5O2/c17-12-5-4-11(14(18)7-12)8-20-22-9-15(21-16(22)19)10-2-1-3-13(6-10)23(24)25/h1-9H,(H2,19,21)
InChIKeyPDRACZLPBQCPDO-UHFFFAOYSA-N
XLogP4.23
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine (CID 23794709) is 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine is Nc1nc(-c2cccc([N+](=O)[O-])c2)cn1N=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine?
The InChIKey is PDRACZLPBQCPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O2/c17-12-5-4-11(14(18)7-12)8-20-22-9-15(21-16(22)19)10-2-1-3-13(6-10)23(24)25/h1-9H,(H2,19,21).
What are the key properties of 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine?
1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine has a molecular weight of 376.20 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine is sourced from PubChem (CID 23794709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).