N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide

C25H25ClFN5O — CID 146370933

About N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide

N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide (PubChem CID 146370933) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide.

Molecular Properties

• Compound Name: N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide
• PubChem CID: 146370933
• Molecular Formula: C25H25ClFN5O
• Molecular Weight: 465.96 g/mol
• Exact Mass: 465.17
• IUPAC Name: N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide
• SMILES: Cc1cnc(F)c(-c2cc(CNC3=NCCN3)cc(C(=O)NCc3ccc(Cl)c(C)c3)c2)c1
• InChI: InChI=1S/C25H25ClFN5O/c1-15-7-21(23(27)30-12-15)19-9-18(14-32-25-28-5-6-29-25)10-20(11-19)24(33)31-13-17-3-4-22(26)16(2)8-17/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,31,33)(H2,28,29,32)
• InChIKey: GFEQQEVVCJPEQP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 78.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.96
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide?

The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide (CID 146370933) is N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide.

What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide?

The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide is Cc1cnc(F)c(-c2cc(CNC3=NCCN3)cc(C(=O)NCc3ccc(Cl)c(C)c3)c2)c1.

What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide?

The InChIKey is GFEQQEVVCJPEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O/c1-15-7-21(23(27)30-12-15)19-9-18(14-32-25-28-5-6-29-25)10-20(11-19)24(33)31-13-17-3-4-22(26)16(2)8-17/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,31,33)(H2,28,29,32).

What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide?

N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide has a molecular weight of 465.96 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 146370933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).