2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole

C17H14ClN3O3 — CID 71490910

IUPAC2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole
SMILESCOc1cccc(-n2cc(C)nc2-c2ccccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C17H14ClN3O3/c1-11-10-20(17(19-11)12-6-3-4-7-13(12)18)14-8-5-9-15(24-2)16(14)21(22)23/h3-10H,1-2H3
InChIKeyRTGMPKIXHKSSAN-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.42
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole

2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole (PubChem CID 71490910) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole
PubChem CID71490910
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole
SMILESCOc1cccc(-n2cc(C)nc2-c2ccccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C17H14ClN3O3/c1-11-10-20(17(19-11)12-6-3-4-7-13(12)18)14-8-5-9-15(24-2)16(14)21(22)23/h3-10H,1-2H3
InChIKeyRTGMPKIXHKSSAN-UHFFFAOYSA-N
XLogP4.42
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.42
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

ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
CID 143812513
2-(2-chlorophenyl)-4-methyl-1-[4-(3-methylphenyl)phenyl]imidazole;ethane
CID 90929426
3-methoxy-5-[2-(5-methoxy-3-pyridinyl)-4-methylimidazol-1-yl]-4-nitrophenol
CID 70226560
2-(2-chlorophenyl)-4-methyl-1-methylsulfonylimidazole
CID 141482278
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
CID 114070923
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
(2E)-1-acetyl-2-[(3-methoxy-2-nitrophenyl)methylidene]indol-3-one
CID 10520965
N-(3-chloro-2-methylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 23484110
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole (CID 71490910) is 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole is COc1cccc(-n2cc(C)nc2-c2ccccc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole?
The InChIKey is RTGMPKIXHKSSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-11-10-20(17(19-11)12-6-3-4-7-13(12)18)14-8-5-9-15(24-2)16(14)21(22)23/h3-10H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole?
2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole has a molecular weight of 343.77 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole is sourced from PubChem (CID 71490910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).