4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

C20H21N3O2 — CID 31533502

IUPAC4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-3-8-19(25-2)17(13-15)9-10-22-20(24)16-4-6-18(7-5-16)23-12-11-21-14-23/h3-8,11-14H,9-10H2,1-2H3,(H,22,24)
InChIKeyRRQLIXLVXHUHQA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.16
Rot. Bonds6

About 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 31533502) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID31533502
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-3-8-19(25-2)17(13-15)9-10-22-20(24)16-4-6-18(7-5-16)23-12-11-21-14-23/h3-8,11-14H,9-10H2,1-2H3,(H,22,24)
InChIKeyRRQLIXLVXHUHQA-UHFFFAOYSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
4-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 112798288
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
4-methoxy-N-[2-[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111388789
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
CID 29028004
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 31533502) is 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1CCNC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is RRQLIXLVXHUHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-3-8-19(25-2)17(13-15)9-10-22-20(24)16-4-6-18(7-5-16)23-12-11-21-14-23/h3-8,11-14H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 31533502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).