N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide

C21H22N4O2 — CID 42825343

IUPACN-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-3-13-22-14-20(26)24-21-23-19(16-9-11-18(27-2)12-10-16)15-25(21)17-7-5-4-6-8-17/h3-12,15,22H,1,13-14H2,2H3,(H,23,24,26)
InChIKeyFZPQTNPVYRFERW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.26
Rot. Bonds8

About N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide

N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide (PubChem CID 42825343) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
PubChem CID42825343
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-3-13-22-14-20(26)24-21-23-19(16-9-11-18(27-2)12-10-16)15-25(21)17-7-5-4-6-8-17/h3-12,15,22H,1,13-14H2,2H3,(H,23,24,26)
InChIKeyFZPQTNPVYRFERW-UHFFFAOYSA-N
XLogP3.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42825352
N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 46145515
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825347
N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylcyclopentanecarboxamide
CID 42828168
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
CID 42829865
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42828402
N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826368
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42828379
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
CID 42825359
N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825400

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide (CID 42825343) is N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide?
The InChIKey is FZPQTNPVYRFERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-13-22-14-20(26)24-21-23-19(16-9-11-18(27-2)12-10-16)15-25(21)17-7-5-4-6-8-17/h3-12,15,22H,1,13-14H2,2H3,(H,23,24,26).
What are the key properties of N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide?
N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 42825343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).