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

C16H14ClN3O3 — CID 25208084

IUPAC1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
SMILESO=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3/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/b15-10-
InChIKeyGFOJDFLEIZKNIZ-GDNBJRDFSA-N
MW331.76 g/mol
LogP3.46
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole (PubChem CID 25208084) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
PubChem CID25208084
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
SMILESO=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3/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/b15-10-
InChIKeyGFOJDFLEIZKNIZ-GDNBJRDFSA-N
XLogP3.46
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.46
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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Related Compounds

(5E)-2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
CID 1942918
(4E)-2-(2-chlorophenyl)-4-(furan-2-ylmethylidene)-4H-imidazol-5-ol
CID 135637510
1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride
CID 25208081
1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole;hydrochloride
CID 25208083
1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
CID 25208082
8-Benzyl-6-(4-chlorophenyl)-2-(furan-2-ylmethylidene)imidazo[1,2-a]pyrazin-3-one
CID 175017788
(5E)-2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methyl-3,5-dihydro-4H-imidazol-4-one
CID 1960308
2-(2,4-Dichlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
CID 4892035
2-(2-Chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
CID 4896394
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one
CID 24204863
2-(4-chloro-3-nitrophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135424236
2-(2-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135449749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole (CID 25208084) is 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole is 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?
The InChIKey is GFOJDFLEIZKNIZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H14ClN3O3/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/b15-10-.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
1-[(4-chlorophenyl)methyl]-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole has a molecular weight of 331.76 g/mol, XLogP of 3.46, 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 is sourced from PubChem (CID 25208084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).