5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine

C21H17ClN4O — CID 23823708

IUPAC5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine
SMILESCc1cccc(-c2ccc(C=Nn3c(-c4ccc(Cl)cc4)cnc3N)o2)c1
InChIInChI=1S/C21H17ClN4O/c1-14-3-2-4-16(11-14)20-10-9-18(27-20)12-25-26-19(13-24-21(26)23)15-5-7-17(22)8-6-15/h2-13H,1H3,(H2,23,24)
InChIKeyDMTYXFKTEMMBOY-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.24
Rot. Bonds4

About 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine

5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine (PubChem CID 23823708) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine
PubChem CID23823708
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine
SMILESCc1cccc(-c2ccc(C=Nn3c(-c4ccc(Cl)cc4)cnc3N)o2)c1
InChIInChI=1S/C21H17ClN4O/c1-14-3-2-4-16(11-14)20-10-9-18(27-20)12-25-26-19(13-24-21(26)23)15-5-7-17(22)8-6-15/h2-13H,1H3,(H2,23,24)
InChIKeyDMTYXFKTEMMBOY-UHFFFAOYSA-N
XLogP5.24
TPSA69.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine (CID 23823708) is 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine is Cc1cccc(-c2ccc(C=Nn3c(-c4ccc(Cl)cc4)cnc3N)o2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine?
The InChIKey is DMTYXFKTEMMBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-14-3-2-4-16(11-14)20-10-9-18(27-20)12-25-26-19(13-24-21(26)23)15-5-7-17(22)8-6-15/h2-13H,1H3,(H2,23,24).
What are the key properties of 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine?
5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine has a molecular weight of 376.85 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[[5-(3-methylphenyl)furan-2-yl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 23823708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).