5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C24H19ClFN3O2 — CID 46089767

IUPAC5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1cccc(-c2cnc(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)[nH]2)c1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-17(11-19)22-14-27-23(29-22)16-7-5-15(6-8-16)13-28-24(30)20-12-18(25)9-10-21(20)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyNJIHBQQNGZUJAW-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.47
Rot. Bonds6

About 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 46089767) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID46089767
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1cccc(-c2cnc(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)[nH]2)c1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-17(11-19)22-14-27-23(29-22)16-7-5-15(6-8-16)13-28-24(30)20-12-18(25)9-10-21(20)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyNJIHBQQNGZUJAW-UHFFFAOYSA-N
XLogP5.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 157315843
2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
CID 91633898
2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089582
N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
CID 46089440
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 92771894
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46089765
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 46089767) is 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is COc1cccc(-c2cnc(-c3ccc(CNC(=O)c4cc(Cl)ccc4F)cc3)[nH]2)c1.
What is the InChIKey of 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is NJIHBQQNGZUJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-17(11-19)22-14-27-23(29-22)16-7-5-15(6-8-16)13-28-24(30)20-12-18(25)9-10-21(20)26/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 46089767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).