N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C22H24ClN3O4 — CID 25346145

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc(OC)c1OC
InChIInChI=1S/C22H24ClN3O4/c1-26-10-9-24-22(26)20(15-5-7-16(23)8-6-15)25-19(27)13-14-11-17(28-2)21(30-4)18(12-14)29-3/h5-12,20H,13H2,1-4H3,(H,25,27)/t20-/m1/s1
InChIKeyZUIRBZGKBFICKW-HXUWFJFHSA-N
MW429.90 g/mol
LogP3.55
Rot. Bonds8

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 25346145) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID25346145
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc(OC)c1OC
InChIInChI=1S/C22H24ClN3O4/c1-26-10-9-24-22(26)20(15-5-7-16(23)8-6-15)25-19(27)13-14-11-17(28-2)21(30-4)18(12-14)29-3/h5-12,20H,13H2,1-4H3,(H,25,27)/t20-/m1/s1
InChIKeyZUIRBZGKBFICKW-HXUWFJFHSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
2-(5-acetyl-2-methoxyphenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 26654459
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 25371569
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
CID 27034939
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 25346145) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc(OC)c1OC.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZUIRBZGKBFICKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-26-10-9-24-22(26)20(15-5-7-16(23)8-6-15)25-19(27)13-14-11-17(28-2)21(30-4)18(12-14)29-3/h5-12,20H,13H2,1-4H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 429.90 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 25346145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).