N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

C19H18ClN3OS — CID 7151065

IUPACN-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C19H18ClN3OS/c20-17-8-6-16(7-9-17)13-23-11-10-21-19(23)25-14-18(24)22-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24)
InChIKeyBWQPONAVQLBHDJ-UHFFFAOYSA-N
MW371.89 g/mol
LogP3.99
Rot. Bonds7

About N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151065) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151065
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C19H18ClN3OS/c20-17-8-6-16(7-9-17)13-23-11-10-21-19(23)25-14-18(24)22-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24)
InChIKeyBWQPONAVQLBHDJ-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide 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-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151065) is N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1Cc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is BWQPONAVQLBHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-17-8-6-16(7-9-17)13-23-11-10-21-19(23)25-14-18(24)22-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,24).
What are the key properties of N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 371.89 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).