N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide

C24H19Cl2FN4O — CID 146370781

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide
SMILESCc1nc(F)ccc1-c1cc(Cn2ccnc2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C24H19Cl2FN4O/c1-15-20(3-5-23(27)30-15)18-8-17(13-31-7-6-28-14-31)9-19(11-18)24(32)29-12-16-2-4-21(25)22(26)10-16/h2-11,14H,12-13H2,1H3,(H,29,32)
InChIKeyZMEHLTRGAHGRAP-UHFFFAOYSA-N
MW469.35 g/mol
LogP5.68
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide

N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide (PubChem CID 146370781) has the molecular formula C24H19Cl2FN4O and a molecular weight of 469.35 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide
PubChem CID146370781
Molecular FormulaC24H19Cl2FN4O
Molecular Weight469.35 g/mol
Exact Mass468.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide
SMILESCc1nc(F)ccc1-c1cc(Cn2ccnc2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C24H19Cl2FN4O/c1-15-20(3-5-23(27)30-15)18-8-17(13-31-7-6-28-14-31)9-19(11-18)24(32)29-12-16-2-4-21(25)22(26)10-16/h2-11,14H,12-13H2,1H3,(H,29,32)
InChIKeyZMEHLTRGAHGRAP-UHFFFAOYSA-N
XLogP5.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.35
LogP ≤ 55.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide (CID 146370781) is N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide is Cc1nc(F)ccc1-c1cc(Cn2ccnc2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide?
The InChIKey is ZMEHLTRGAHGRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN4O/c1-15-20(3-5-23(27)30-15)18-8-17(13-31-7-6-28-14-31)9-19(11-18)24(32)29-12-16-2-4-21(25)22(26)10-16/h2-11,14H,12-13H2,1H3,(H,29,32).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide?
N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide has a molecular weight of 469.35 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 146370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).