2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide

C20H22N4O — CID 70796311

IUPAC2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide
SMILESCc1cn(-c2ccc(NCC(=O)NCCc3ccccc3)cc2)cn1
InChIInChI=1S/C20H22N4O/c1-16-14-24(15-23-16)19-9-7-18(8-10-19)22-13-20(25)21-12-11-17-5-3-2-4-6-17/h2-10,14-15,22H,11-13H2,1H3,(H,21,25)
InChIKeyARFAAMMVEISBHH-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide

2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide (PubChem CID 70796311) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide
PubChem CID70796311
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide
SMILESCc1cn(-c2ccc(NCC(=O)NCCc3ccccc3)cc2)cn1
InChIInChI=1S/C20H22N4O/c1-16-14-24(15-23-16)19-9-7-18(8-10-19)22-13-20(25)21-12-11-17-5-3-2-4-6-17/h2-10,14-15,22H,11-13H2,1H3,(H,21,25)
InChIKeyARFAAMMVEISBHH-UHFFFAOYSA-N
XLogP2.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
CID 139426275
2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
CID 109000006
[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
CID 149149751
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
2-(naphthalen-2-ylamino)-N-(2-phenylethyl)acetamide
CID 26417168
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)
CID 167540048
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide (CID 70796311) is 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide is Cc1cn(-c2ccc(NCC(=O)NCCc3ccccc3)cc2)cn1.
What is the InChIKey of 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide?
The InChIKey is ARFAAMMVEISBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-14-24(15-23-16)19-9-7-18(8-10-19)22-13-20(25)21-12-11-17-5-3-2-4-6-17/h2-10,14-15,22H,11-13H2,1H3,(H,21,25).
What are the key properties of 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide?
2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 70796311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).