2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C21H23ClN4OS — CID 96522143

IUPAC2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCC[C@H]1c1ncc(-c2ccccc2Cl)[nH]1)NCCc1cccs1
InChIInChI=1S/C21H23ClN4OS/c22-17-7-2-1-6-16(17)18-13-24-21(25-18)19-8-3-11-26(19)14-20(27)23-10-9-15-5-4-12-28-15/h1-2,4-7,12-13,19H,3,8-11,14H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyKKZAILZODBYPJM-IBGZPJMESA-N
MW414.96 g/mol
LogP4.29
Rot. Bonds7

About 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 96522143) has the molecular formula C21H23ClN4OS and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID96522143
Molecular FormulaC21H23ClN4OS
Molecular Weight414.96 g/mol
Exact Mass414.13
IUPAC Name2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCC[C@H]1c1ncc(-c2ccccc2Cl)[nH]1)NCCc1cccs1
InChIInChI=1S/C21H23ClN4OS/c22-17-7-2-1-6-16(17)18-13-24-21(25-18)19-8-3-11-26(19)14-20(27)23-10-9-15-5-4-12-28-15/h1-2,4-7,12-13,19H,3,8-11,14H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyKKZAILZODBYPJM-IBGZPJMESA-N
XLogP4.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide 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-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 96522143) is 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CN1CCC[C@H]1c1ncc(-c2ccccc2Cl)[nH]1)NCCc1cccs1.
What is the InChIKey of 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is KKZAILZODBYPJM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClN4OS/c22-17-7-2-1-6-16(17)18-13-24-21(25-18)19-8-3-11-26(19)14-20(27)23-10-9-15-5-4-12-28-15/h1-2,4-7,12-13,19H,3,8-11,14H2,(H,23,27)(H,24,25)/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 414.96 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 96522143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).