N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide

C25H20Cl2F2N4O — CID 177249623

IUPACN-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1Cl)c1cnc(CCc2ccc(F)cc2)n1CCc1ccc(F)cc1
InChIInChI=1S/C25H20Cl2F2N4O/c26-22-11-10-20(24(27)32-22)31-25(34)21-15-30-23(12-5-16-1-6-18(28)7-2-16)33(21)14-13-17-3-8-19(29)9-4-17/h1-4,6-11,15H,5,12-14H2,(H,31,34)
InChIKeyYSHIBBOQVJPUMI-UHFFFAOYSA-N
MW501.36 g/mol
LogP6.14
Rot. Bonds8

About N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide

N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide (PubChem CID 177249623) has the molecular formula C25H20Cl2F2N4O and a molecular weight of 501.36 g/mol. Its IUPAC name is N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
PubChem CID177249623
Molecular FormulaC25H20Cl2F2N4O
Molecular Weight501.36 g/mol
Exact Mass500.10
IUPAC NameN-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1Cl)c1cnc(CCc2ccc(F)cc2)n1CCc1ccc(F)cc1
InChIInChI=1S/C25H20Cl2F2N4O/c26-22-11-10-20(24(27)32-22)31-25(34)21-15-30-23(12-5-16-1-6-18(28)7-2-16)33(21)14-13-17-3-8-19(29)9-4-17/h1-4,6-11,15H,5,12-14H2,(H,31,34)
InChIKeyYSHIBBOQVJPUMI-UHFFFAOYSA-N
XLogP6.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.36
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
N-(2,6-dichloro-3-pyridinyl)-1,2-bis[(3,4,5-trifluorophenyl)methyl]imidazole-4-carboxamide
CID 177249614
N-(2,4-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284577
N'-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66548800
5-[2-(4-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109193713
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
CID 89406457
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
N-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 16548329

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide (CID 177249623) is N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide is O=C(Nc1ccc(Cl)nc1Cl)c1cnc(CCc2ccc(F)cc2)n1CCc1ccc(F)cc1.
What is the InChIKey of N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is YSHIBBOQVJPUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N4O/c26-22-11-10-20(24(27)32-22)31-25(34)21-15-30-23(12-5-16-1-6-18(28)7-2-16)33(21)14-13-17-3-8-19(29)9-4-17/h1-4,6-11,15H,5,12-14H2,(H,31,34).
What are the key properties of N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 501.36 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-pyridinyl)-2,3-bis[2-(4-fluorophenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 177249623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).