propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate

C23H26ClN3O4 — CID 16574612

IUPACpropan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate
SMILESCCn1c(=O)n(CC(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H26ClN3O4/c1-4-26-19-11-7-8-12-20(19)27(23(26)30)14-21(28)25-18(13-22(29)31-15(2)3)16-9-5-6-10-17(16)24/h5-12,15,18H,4,13-14H2,1-3H3,(H,25,28)
InChIKeyCGBKEDGWNXNXFG-UHFFFAOYSA-N
MW443.93 g/mol
LogP3.68
Rot. Bonds8

About propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate

propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate (PubChem CID 16574612) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate
PubChem CID16574612
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Namepropan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate
SMILESCCn1c(=O)n(CC(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H26ClN3O4/c1-4-26-19-11-7-8-12-20(19)27(23(26)30)14-21(28)25-18(13-22(29)31-15(2)3)16-9-5-6-10-17(16)24/h5-12,15,18H,4,13-14H2,1-3H3,(H,25,28)
InChIKeyCGBKEDGWNXNXFG-UHFFFAOYSA-N
XLogP3.68
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate 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 propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate (CID 16574612) is propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate is CCn1c(=O)n(CC(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate?
The InChIKey is CGBKEDGWNXNXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-4-26-19-11-7-8-12-20(19)27(23(26)30)14-21(28)25-18(13-22(29)31-15(2)3)16-9-5-6-10-17(16)24/h5-12,15,18H,4,13-14H2,1-3H3,(H,25,28).
What are the key properties of propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate?
propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate has a molecular weight of 443.93 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 16574612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).