1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride

C16H15Cl2N3O3 — CID 25208083

IUPAC1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride
SMILESCl.O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3.ClH/c17-13-5-3-12(4-6-13)11-19-8-7-18-16(19)15(20(21)22)10-14-2-1-9-23-14;/h1-6,9-10H,7-8,11H2;1H/b15-10-;
InChIKeyMHRTZOUMFRTBOJ-AZJSCORLSA-N
MW368.22 g/mol
LogP3.89
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride

1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride (PubChem CID 25208083) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride
PubChem CID25208083
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride
SMILESCl.O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3.ClH/c17-13-5-3-12(4-6-13)11-19-8-7-18-16(19)15(20(21)22)10-14-2-1-9-23-14;/h1-6,9-10H,7-8,11H2;1H/b15-10-;
InChIKeyMHRTZOUMFRTBOJ-AZJSCORLSA-N
XLogP3.89
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride (CID 25208083) is 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride is Cl.O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride?
The InChIKey is MHRTZOUMFRTBOJ-AZJSCORLSA-N. The full InChI is InChI=1S/C16H14ClN3O3.ClH/c17-13-5-3-12(4-6-13)11-19-8-7-18-16(19)15(20(21)22)10-14-2-1-9-23-14;/h1-6,9-10H,7-8,11H2;1H/b15-10-;.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride?
1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride has a molecular weight of 368.22 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride is sourced from PubChem (CID 25208083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).