N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

C28H27ClN4O2 — CID 46145149

IUPACN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C(C)C)cc1
InChIInChI=1S/C28H27ClN4O2/c1-19(2)32(27(35)22-14-12-20(3)13-15-22)18-26(34)31-28-30-25(21-8-5-4-6-9-21)17-33(28)24-11-7-10-23(29)16-24/h4-17,19H,18H2,1-3H3,(H,30,31,34)
InChIKeyIAHNKYJEZLYJGF-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.99
Rot. Bonds7

About N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 46145149) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID46145149
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C(C)C)cc1
InChIInChI=1S/C28H27ClN4O2/c1-19(2)32(27(35)22-14-12-20(3)13-15-22)18-26(34)31-28-30-25(21-8-5-4-6-9-21)17-33(28)24-11-7-10-23(29)16-24/h4-17,19H,18H2,1-3H3,(H,30,31,34)
InChIKeyIAHNKYJEZLYJGF-UHFFFAOYSA-N
XLogP5.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42828259
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42827312
2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 23649413
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46146259
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 46145823
N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42828443
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 42827317
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (CID 46145149) is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C(C)C)cc1.
What is the InChIKey of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is IAHNKYJEZLYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-19(2)32(27(35)22-14-12-20(3)13-15-22)18-26(34)31-28-30-25(21-8-5-4-6-9-21)17-33(28)24-11-7-10-23(29)16-24/h4-17,19H,18H2,1-3H3,(H,30,31,34).
What are the key properties of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 487.00 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 46145149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).