N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide

C30H29ClN4O3 — CID 46146458

IUPACN-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC2CC2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H29ClN4O3/c1-20-3-7-23(8-4-20)29(37)34(17-21-5-6-21)19-28(36)33-30-32-27(22-9-11-24(31)12-10-22)18-35(30)25-13-15-26(38-2)16-14-25/h3-4,7-16,18,21H,5-6,17,19H2,1-2H3,(H,32,33,36)
InChIKeyYNCONOZTTRZNAC-UHFFFAOYSA-N
MW529.04 g/mol
LogP6.00
Rot. Bonds9

About N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide

N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide (PubChem CID 46146458) has the molecular formula C30H29ClN4O3 and a molecular weight of 529.04 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
PubChem CID46146458
Molecular FormulaC30H29ClN4O3
Molecular Weight529.04 g/mol
Exact Mass528.19
IUPAC NameN-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC2CC2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H29ClN4O3/c1-20-3-7-23(8-4-20)29(37)34(17-21-5-6-21)19-28(36)33-30-32-27(22-9-11-24(31)12-10-22)18-35(30)25-13-15-26(38-2)16-14-25/h3-4,7-16,18,21H,5-6,17,19H2,1-2H3,(H,32,33,36)
InChIKeyYNCONOZTTRZNAC-UHFFFAOYSA-N
XLogP6.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide?
The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide (CID 46146458) is N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide?
The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide is COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC2CC2)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide?
The InChIKey is YNCONOZTTRZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O3/c1-20-3-7-23(8-4-20)29(37)34(17-21-5-6-21)19-28(36)33-30-32-27(22-9-11-24(31)12-10-22)18-35(30)25-13-15-26(38-2)16-14-25/h3-4,7-16,18,21H,5-6,17,19H2,1-2H3,(H,32,33,36).
What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide?
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide has a molecular weight of 529.04 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide is sourced from PubChem (CID 46146458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).