N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide

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

N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide (PubChem CID 159580351) has the molecular formula C25H23Cl2FN4O and a molecular weight of 485.39 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name	N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide
PubChem CID	159580351
Molecular Formula	C25H23Cl2FN4O
Molecular Weight	485.39 g/mol
Exact Mass	484.12
IUPAC Name	N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide
SMILES	Cc1nc(F)ccc1-c1cc(CCC2=NCCN2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChI	InChI=1S/C25H23Cl2FN4O/c1-15-20(4-6-23(28)32-15)18-10-16(3-7-24-29-8-9-30-24)11-19(13-18)25(33)31-14-17-2-5-21(26)22(27)12-17/h2,4-6,10-13H,3,7-9,14H2,1H3,(H,29,30)(H,31,33)
InChIKey	MIYADRWHJLUYDB-UHFFFAOYSA-N
XLogP	5.37
TPSA	66.38 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.39
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide (CID 159580351) is N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide is Cc1nc(F)ccc1-c1cc(CCC2=NCCN2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide?

The InChIKey is MIYADRWHJLUYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2FN4O/c1-15-20(4-6-23(28)32-15)18-10-16(3-7-24-29-8-9-30-24)11-19(13-18)25(33)31-14-17-2-5-21(26)22(27)12-17/h2,4-6,10-13H,3,7-9,14H2,1H3,(H,29,30)(H,31,33).

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide?

N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide has a molecular weight of 485.39 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 159580351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).