2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide

C13H14ClN3O2S — CID 18589646

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1ncc(CO)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)6-17-11(7-18)5-16-13(17)20-8-12(15)19/h1-5,18H,6-8H2,(H2,15,19)
InChIKeyBLTDSMAGKZYECD-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.65
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide

2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 18589646) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID18589646
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1ncc(CO)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)6-17-11(7-18)5-16-13(17)20-8-12(15)19/h1-5,18H,6-8H2,(H2,15,19)
InChIKeyBLTDSMAGKZYECD-UHFFFAOYSA-N
XLogP1.65
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide (CID 18589646) is 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide is NC(=O)CSc1ncc(CO)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is BLTDSMAGKZYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)6-17-11(7-18)5-16-13(17)20-8-12(15)19/h1-5,18H,6-8H2,(H2,15,19).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 311.79 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 18589646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).