2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide

C23H19ClN4O2 — CID 60526385

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C23H19ClN4O2/c24-20-7-3-1-5-18(20)15-30-21-8-4-2-6-19(21)23(29)27-14-17-9-10-26-22(13-17)28-12-11-25-16-28/h1-13,16H,14-15H2,(H,27,29)
InChIKeyDYRPQAKXGNRTON-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.43
Rot. Bonds7

About 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide

2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 60526385) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID60526385
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C23H19ClN4O2/c24-20-7-3-1-5-18(20)15-30-21-8-4-2-6-19(21)23(29)27-14-17-9-10-26-22(13-17)28-12-11-25-16-28/h1-13,16H,14-15H2,(H,27,29)
InChIKeyDYRPQAKXGNRTON-UHFFFAOYSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690342
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463772
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60592788
2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
CID 47060897
2-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 153325333
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide (CID 60526385) is 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(-n2ccnc2)c1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is DYRPQAKXGNRTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-20-7-3-1-5-18(20)15-30-21-8-4-2-6-19(21)23(29)27-14-17-9-10-26-22(13-17)28-12-11-25-16-28/h1-13,16H,14-15H2,(H,27,29).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 60526385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).