2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide

C25H21ClN4O3 — CID 55849154

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide
SMILESCc1nccn1-c1cc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)ccn1
InChIInChI=1S/C25H21ClN4O3/c1-17-27-12-13-30(17)23-14-18(10-11-28-23)15-29-24(31)16-33-22-8-4-20(5-9-22)25(32)19-2-6-21(26)7-3-19/h2-14H,15-16H2,1H3,(H,29,31)
InChIKeyBLHXUJOHPCYVMH-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.16
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide (PubChem CID 55849154) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide
PubChem CID55849154
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide
SMILESCc1nccn1-c1cc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)ccn1
InChIInChI=1S/C25H21ClN4O3/c1-17-27-12-13-30(17)23-14-18(10-11-28-23)15-29-24(31)16-33-22-8-4-20(5-9-22)25(32)19-2-6-21(26)7-3-19/h2-14H,15-16H2,1H3,(H,29,31)
InChIKeyBLHXUJOHPCYVMH-UHFFFAOYSA-N
XLogP4.16
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 121074526
2-(4-chlorophenoxy)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 121073975
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
2-(4-benzoylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167317
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55727875
2-(3,5-dimethylphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92682720
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide
CID 55717271

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide (CID 55849154) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide is Cc1nccn1-c1cc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)ccn1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide?
The InChIKey is BLHXUJOHPCYVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-17-27-12-13-30(17)23-14-18(10-11-28-23)15-29-24(31)16-33-22-8-4-20(5-9-22)25(32)19-2-6-21(26)7-3-19/h2-14H,15-16H2,1H3,(H,29,31).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide has a molecular weight of 460.92 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55849154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).