2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C22H24ClN3O4 — CID 55456727

IUPAC2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1cc(OC)cc(C(NC(=O)C(C)Oc2cccc(Cl)c2)c2nccn2C)c1
InChIInChI=1S/C22H24ClN3O4/c1-14(30-17-7-5-6-16(23)12-17)22(27)25-20(21-24-8-9-26(21)2)15-10-18(28-3)13-19(11-15)29-4/h5-14,20H,1-4H3,(H,25,27)
InChIKeyPPKWKPWRQCYWGT-UHFFFAOYSA-N
MW429.90 g/mol
LogP3.76
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 55456727) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID55456727
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1cc(OC)cc(C(NC(=O)C(C)Oc2cccc(Cl)c2)c2nccn2C)c1
InChIInChI=1S/C22H24ClN3O4/c1-14(30-17-7-5-6-16(23)12-17)22(27)25-20(21-24-8-9-26(21)2)15-10-18(28-3)13-19(11-15)29-4/h5-14,20H,1-4H3,(H,25,27)
InChIKeyPPKWKPWRQCYWGT-UHFFFAOYSA-N
XLogP3.76
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17492515
(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119838058
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47046905
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55942208
1-[2-(3-chlorophenyl)ethyl]-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36524692
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 55456727) is 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is COc1cc(OC)cc(C(NC(=O)C(C)Oc2cccc(Cl)c2)c2nccn2C)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is PPKWKPWRQCYWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-14(30-17-7-5-6-16(23)12-17)22(27)25-20(21-24-8-9-26(21)2)15-10-18(28-3)13-19(11-15)29-4/h5-14,20H,1-4H3,(H,25,27).
What are the key properties of 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 429.90 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 55456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).