2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide

C19H16Cl3N3O2 — CID 91633898

IUPAC2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)C(Cl)(Cl)Cl)cc3)[nH]2)cc1
InChIInChI=1S/C19H16Cl3N3O2/c1-27-15-8-6-13(7-9-15)16-11-23-17(25-16)14-4-2-12(3-5-14)10-24-18(26)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyHGYGDMRMQJPVCH-UHFFFAOYSA-N
MW424.72 g/mol
LogP4.74
Rot. Bonds5

About 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide

2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide (PubChem CID 91633898) has the molecular formula C19H16Cl3N3O2 and a molecular weight of 424.72 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
PubChem CID91633898
Molecular FormulaC19H16Cl3N3O2
Molecular Weight424.72 g/mol
Exact Mass423.03
IUPAC Name2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)C(Cl)(Cl)Cl)cc3)[nH]2)cc1
InChIInChI=1S/C19H16Cl3N3O2/c1-27-15-8-6-13(7-9-15)16-11-23-17(25-16)14-4-2-12(3-5-14)10-24-18(26)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyHGYGDMRMQJPVCH-UHFFFAOYSA-N
XLogP4.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.72
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46089765
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 25339836
2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 92771894
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 92819857
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111182238
N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine
CID 169322272
2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289482
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 160974757
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70196692

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide (CID 91633898) is 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)C(Cl)(Cl)Cl)cc3)[nH]2)cc1.
What is the InChIKey of 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide?
The InChIKey is HGYGDMRMQJPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2/c1-27-15-8-6-13(7-9-15)16-11-23-17(25-16)14-4-2-12(3-5-14)10-24-18(26)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide?
2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 424.72 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 91633898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).