2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

C27H28N4O — CID 42825393

IUPAC2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCc2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-20(2)22-13-15-24(16-14-22)31-19-25(23-11-7-4-8-12-23)29-27(31)30-26(32)18-28-17-21-9-5-3-6-10-21/h3-16,19-20,28H,17-18H2,1-2H3,(H,29,30,32)
InChIKeyIGMSUGBJCXHDJT-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.39
Rot. Bonds8

About 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (PubChem CID 42825393) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
PubChem CID42825393
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCc2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-20(2)22-13-15-24(16-14-22)31-19-25(23-11-7-4-8-12-23)29-27(31)30-26(32)18-28-17-21-9-5-3-6-10-21/h3-16,19-20,28H,17-18H2,1-2H3,(H,29,30,32)
InChIKeyIGMSUGBJCXHDJT-UHFFFAOYSA-N
XLogP5.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825395
2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825392
2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42825352
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 93151288
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
CID 93151283
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825414
2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 23649413
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825358
N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
N-benzyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42826827
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42828259

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (CID 42825393) is 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The InChIKey is IGMSUGBJCXHDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-20(2)22-13-15-24(16-14-22)31-19-25(23-11-7-4-8-12-23)29-27(31)30-26(32)18-28-17-21-9-5-3-6-10-21/h3-16,19-20,28H,17-18H2,1-2H3,(H,29,30,32).
What are the key properties of 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 42825393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).