2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

C19H18ClN3OS — CID 7150982

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClN3OS/c20-17-9-5-4-8-16(17)12-22-18(24)14-25-19-21-10-11-23(19)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,24)
InChIKeyFCSRCICAJCNBDL-UHFFFAOYSA-N
MW371.89 g/mol
LogP3.99
Rot. Bonds7

About 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 7150982) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID7150982
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClN3OS/c20-17-9-5-4-8-16(17)12-22-18(24)14-25-19-21-10-11-23(19)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,24)
InChIKeyFCSRCICAJCNBDL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (CID 7150982) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is O=C(CSc1nccn1Cc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is FCSRCICAJCNBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-17-9-5-4-8-16(17)12-22-18(24)14-25-19-21-10-11-23(19)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,24).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide 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 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 7150982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).