4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine

C20H11Cl3N4O2 — CID 54445074

IUPAC4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESO=[N+]([O-])c1cccc(Cl)c1-c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C20H11Cl3N4O2/c21-13-5-4-12(10-15(13)23)19-18(11-6-8-24-9-7-11)25-20(26-19)17-14(22)2-1-3-16(17)27(28)29/h1-10H,(H,25,26)
InChIKeyWQXNHBFZZQQXIB-UHFFFAOYSA-N
MW445.69 g/mol
LogP6.67
Rot. Bonds4

About 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 54445074) has the molecular formula C20H11Cl3N4O2 and a molecular weight of 445.69 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID54445074
Molecular FormulaC20H11Cl3N4O2
Molecular Weight445.69 g/mol
Exact Mass443.99
IUPAC Name4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
SMILESO=[N+]([O-])c1cccc(Cl)c1-c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C20H11Cl3N4O2/c21-13-5-4-12(10-15(13)23)19-18(11-6-8-24-9-7-11)25-20(26-19)17-14(22)2-1-3-16(17)27(28)29/h1-10H,(H,25,26)
InChIKeyWQXNHBFZZQQXIB-UHFFFAOYSA-N
XLogP6.67
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
CID 44533820
5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole
CID 1355364
3-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-4-yl]pyridine
CID 139780407
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
CID 4712
2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
CID 133087521
4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
CID 134119534
2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
CID 71625692
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine (CID 54445074) is 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine is O=[N+]([O-])c1cccc(Cl)c1-c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is WQXNHBFZZQQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N4O2/c21-13-5-4-12(10-15(13)23)19-18(11-6-8-24-9-7-11)25-20(26-19)17-14(22)2-1-3-16(17)27(28)29/h1-10H,(H,25,26).
What are the key properties of 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 445.69 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 54445074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).