(3-benzyl-2-propylsulfanylimidazol-4-yl)methanol

C14H18N2OS — CID 22576225

IUPAC(3-benzyl-2-propylsulfanylimidazol-4-yl)methanol
SMILESCCCSc1ncc(CO)n1Cc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-8-18-14-15-9-13(11-17)16(14)10-12-6-4-3-5-7-12/h3-7,9,17H,2,8,10-11H2,1H3
InChIKeyPFLSRKQIWADIFW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.93
Rot. Bonds6

About (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol

(3-benzyl-2-propylsulfanylimidazol-4-yl)methanol (PubChem CID 22576225) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-2-propylsulfanylimidazol-4-yl)methanol
PubChem CID22576225
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(3-benzyl-2-propylsulfanylimidazol-4-yl)methanol
SMILESCCCSc1ncc(CO)n1Cc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-8-18-14-15-9-13(11-17)16(14)10-12-6-4-3-5-7-12/h3-7,9,17H,2,8,10-11H2,1H3
InChIKeyPFLSRKQIWADIFW-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol 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 (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol?
The IUPAC name of (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol (CID 22576225) is (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol.
What is the SMILES notation for (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol?
The canonical SMILES for (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol is CCCSc1ncc(CO)n1Cc1ccccc1.
What is the InChIKey of (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol?
The InChIKey is PFLSRKQIWADIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-8-18-14-15-9-13(11-17)16(14)10-12-6-4-3-5-7-12/h3-7,9,17H,2,8,10-11H2,1H3.
What are the key properties of (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol?
(3-benzyl-2-propylsulfanylimidazol-4-yl)methanol has a molecular weight of 262.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-propylsulfanylimidazol-4-yl)methanol is sourced from PubChem (CID 22576225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).