N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide

C20H20ClN3O — CID 25405660

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C20H20ClN3O/c1-14-5-3-4-6-16(14)13-18(25)23-19(20-22-11-12-24(20)2)15-7-9-17(21)10-8-15/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyHKZMFWDPORGJKS-LJQANCHMSA-N
MW353.85 g/mol
LogP3.83
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 25405660) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID25405660
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C20H20ClN3O/c1-14-5-3-4-6-16(14)13-18(25)23-19(20-22-11-12-24(20)2)15-7-9-17(21)10-8-15/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyHKZMFWDPORGJKS-LJQANCHMSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 25346145
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25358256
2-(5-acetyl-2-methoxyphenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 26654459
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide (CID 25405660) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is HKZMFWDPORGJKS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-5-3-4-6-16(14)13-18(25)23-19(20-22-11-12-24(20)2)15-7-9-17(21)10-8-15/h3-12,19H,13H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 25405660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).