N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide

C31H33ClN4O4 — CID 46145672

IUPACN-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)CC(C)C)cc1OC
InChIInChI=1S/C31H33ClN4O4/c1-21(2)16-30(38)35(18-22-8-6-5-7-9-22)20-29(37)34-31-33-26(23-10-12-24(32)13-11-23)19-36(31)25-14-15-27(39-3)28(17-25)40-4/h5-15,17,19,21H,16,18,20H2,1-4H3,(H,33,34,37)
InChIKeyCXMRNCCAEYYQPP-UHFFFAOYSA-N
MW561.08 g/mol
LogP6.22
Rot. Bonds11

About N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide

N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46145672) has the molecular formula C31H33ClN4O4 and a molecular weight of 561.08 g/mol. Its IUPAC name is N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID46145672
Molecular FormulaC31H33ClN4O4
Molecular Weight561.08 g/mol
Exact Mass560.22
IUPAC NameN-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)CC(C)C)cc1OC
InChIInChI=1S/C31H33ClN4O4/c1-21(2)16-30(38)35(18-22-8-6-5-7-9-22)20-29(37)34-31-33-26(23-10-12-24(32)13-11-23)19-36(31)25-14-15-27(39-3)28(17-25)40-4/h5-15,17,19,21H,16,18,20H2,1-4H3,(H,33,34,37)
InChIKeyCXMRNCCAEYYQPP-UHFFFAOYSA-N
XLogP6.22
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.08
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 42827162
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 46146411
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
CID 42827163
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418681
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 46146430
N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42827312

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (CID 46145672) is N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)CC(C)C)cc1OC.
What is the InChIKey of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is CXMRNCCAEYYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN4O4/c1-21(2)16-30(38)35(18-22-8-6-5-7-9-22)20-29(37)34-31-33-26(23-10-12-24(32)13-11-23)19-36(31)25-14-15-27(39-3)28(17-25)40-4/h5-15,17,19,21H,16,18,20H2,1-4H3,(H,33,34,37).
What are the key properties of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 561.08 g/mol, XLogP of 6.22, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46145672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).