2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C25H20Cl3N3O3 — CID 46089582

IUPAC2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(OC)c(-c2cnc(-c3cccc(CNC(=O)c4c(Cl)cc(Cl)cc4Cl)c3)[nH]2)c1
InChIInChI=1S/C25H20Cl3N3O3/c1-33-17-6-7-22(34-2)18(11-17)21-13-29-24(31-21)15-5-3-4-14(8-15)12-30-25(32)23-19(27)9-16(26)10-20(23)28/h3-11,13H,12H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyBEAAZUGWDRNNMW-UHFFFAOYSA-N
MW516.81 g/mol
LogP6.65
Rot. Bonds7

About 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 46089582) has the molecular formula C25H20Cl3N3O3 and a molecular weight of 516.81 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID46089582
Molecular FormulaC25H20Cl3N3O3
Molecular Weight516.81 g/mol
Exact Mass515.06
IUPAC Name2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(OC)c(-c2cnc(-c3cccc(CNC(=O)c4c(Cl)cc(Cl)cc4Cl)c3)[nH]2)c1
InChIInChI=1S/C25H20Cl3N3O3/c1-33-17-6-7-22(34-2)18(11-17)21-13-29-24(31-21)15-5-3-4-14(8-15)12-30-25(32)23-19(27)9-16(26)10-20(23)28/h3-11,13H,12H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyBEAAZUGWDRNNMW-UHFFFAOYSA-N
XLogP6.65
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.81
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
CID 46089440
(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92773285
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191
2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 11538367
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70196692
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride
CID 161435087
2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
CID 58510130
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 46089582) is 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is COc1ccc(OC)c(-c2cnc(-c3cccc(CNC(=O)c4c(Cl)cc(Cl)cc4Cl)c3)[nH]2)c1.
What is the InChIKey of 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is BEAAZUGWDRNNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O3/c1-33-17-6-7-22(34-2)18(11-17)21-13-29-24(31-21)15-5-3-4-14(8-15)12-30-25(32)23-19(27)9-16(26)10-20(23)28/h3-11,13H,12H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 516.81 g/mol, XLogP of 6.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 46089582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).