N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide

C28H27ClN4O2 — CID 42827312

IUPACN-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C28H27ClN4O2/c1-20(2)27(35)32(17-21-10-5-3-6-11-21)19-26(34)31-28-30-25(22-12-7-4-8-13-22)18-33(28)24-15-9-14-23(29)16-24/h3-16,18,20H,17,19H2,1-2H3,(H,30,31,34)
InChIKeyPCRNNYJAZPRZEQ-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.82
Rot. Bonds8

About N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide

N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 42827312) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
PubChem CID42827312
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC NameN-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C28H27ClN4O2/c1-20(2)27(35)32(17-21-10-5-3-6-11-21)19-26(34)31-28-30-25(22-12-7-4-8-13-22)18-33(28)24-15-9-14-23(29)16-24/h3-16,18,20H,17,19H2,1-2H3,(H,30,31,34)
InChIKeyPCRNNYJAZPRZEQ-UHFFFAOYSA-N
XLogP5.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149
N-benzyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42826827
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46145672
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
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
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46146259
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42827205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide (CID 42827312) is N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is PCRNNYJAZPRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-20(2)27(35)32(17-21-10-5-3-6-11-21)19-26(34)31-28-30-25(22-12-7-4-8-13-22)18-33(28)24-15-9-14-23(29)16-24/h3-16,18,20H,17,19H2,1-2H3,(H,30,31,34).
What are the key properties of N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 487.00 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 42827312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).