2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide

C18H16F2N4O2 — CID 37192727

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C18H16F2N4O2/c19-18(20)26-15-5-3-13(4-6-15)10-16(25)23-11-14-2-1-7-22-17(14)24-9-8-21-12-24/h1-9,12,18H,10-11H2,(H,23,25)
InChIKeyWBRXUEFVKZLFQA-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.73
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 37192727) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID37192727
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C18H16F2N4O2/c19-18(20)26-15-5-3-13(4-6-15)10-16(25)23-11-14-2-1-7-22-17(14)24-9-8-21-12-24/h1-9,12,18H,10-11H2,(H,23,25)
InChIKeyWBRXUEFVKZLFQA-UHFFFAOYSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 37194009
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 37185608
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 42512706
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 42519834
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 154794418
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 56812625
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide (CID 37192727) is 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide is O=C(Cc1ccc(OC(F)F)cc1)NCc1cccnc1-n1ccnc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is WBRXUEFVKZLFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-18(20)26-15-5-3-13(4-6-15)10-16(25)23-11-14-2-1-7-22-17(14)24-9-8-21-12-24/h1-9,12,18H,10-11H2,(H,23,25).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 358.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 37192727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).