2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

C29H26Cl2N4O3 — CID 46144322

IUPAC2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)c1
InChIInChI=1S/C29H26Cl2N4O3/c1-2-38-23-10-6-9-22(16-23)35-17-26(19-7-4-3-5-8-19)32-29(35)33-27(36)18-34(21-12-13-21)28(37)24-14-11-20(30)15-25(24)31/h3-11,14-17,21H,2,12-13,18H2,1H3,(H,32,33,36)
InChIKeyBJJWSARSHTWEBV-UHFFFAOYSA-N
MW549.46 g/mol
LogP6.49
Rot. Bonds9

About 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 46144322) has the molecular formula C29H26Cl2N4O3 and a molecular weight of 549.46 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID46144322
Molecular FormulaC29H26Cl2N4O3
Molecular Weight549.46 g/mol
Exact Mass548.14
IUPAC Name2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)c1
InChIInChI=1S/C29H26Cl2N4O3/c1-2-38-23-10-6-9-22(16-23)35-17-26(19-7-4-3-5-8-19)32-29(35)33-27(36)18-34(21-12-13-21)28(37)24-14-11-20(30)15-25(24)31/h3-11,14-17,21H,2,12-13,18H2,1H3,(H,32,33,36)
InChIKeyBJJWSARSHTWEBV-UHFFFAOYSA-N
XLogP6.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.46
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide 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 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (CID 46144322) is 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)c1.
What is the InChIKey of 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is BJJWSARSHTWEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O3/c1-2-38-23-10-6-9-22(16-23)35-17-26(19-7-4-3-5-8-19)32-29(35)33-27(36)18-34(21-12-13-21)28(37)24-14-11-20(30)15-25(24)31/h3-11,14-17,21H,2,12-13,18H2,1H3,(H,32,33,36).
What are the key properties of 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 549.46 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).