N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide

C19H17Cl2N3O2 — CID 170608857

IUPACN-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)cn1
InChIInChI=1S/C19H17Cl2N3O2/c1-13(25)22-9-14-10-24(12-23-14)15-5-7-16(8-6-15)26-11-17-18(20)3-2-4-19(17)21/h2-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyXIKWBIQYIGZQHS-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.39
Rot. Bonds6

About N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide

N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide (PubChem CID 170608857) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide
PubChem CID170608857
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)cn1
InChIInChI=1S/C19H17Cl2N3O2/c1-13(25)22-9-14-10-24(12-23-14)15-5-7-16(8-6-15)26-11-17-18(20)3-2-4-19(17)21/h2-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyXIKWBIQYIGZQHS-UHFFFAOYSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine
CID 170608530
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528329
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
CID 170608510
methyl (E)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245057
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]imidazol-4-yl]methanol
CID 176828873
N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide
CID 110121883
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide (CID 170608857) is N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide is CC(=O)NCc1cn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)cn1.
What is the InChIKey of N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide?
The InChIKey is XIKWBIQYIGZQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-13(25)22-9-14-10-24(12-23-14)15-5-7-16(8-6-15)26-11-17-18(20)3-2-4-19(17)21/h2-8,10,12H,9,11H2,1H3,(H,22,25).
What are the key properties of N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide?
N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide has a molecular weight of 390.27 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 170608857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).