(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol

C10H18N2OS — CID 66152109

IUPAC(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
SMILESCCCCCSc1ncc(CO)n1C
InChIInChI=1S/C10H18N2OS/c1-3-4-5-6-14-10-11-7-9(8-13)12(10)2/h7,13H,3-6,8H2,1-2H3
InChIKeyCNZPOMZGCCYZJN-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.19
Rot. Bonds6

About (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol

(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol (PubChem CID 66152109) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
PubChem CID66152109
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
SMILESCCCCCSc1ncc(CO)n1C
InChIInChI=1S/C10H18N2OS/c1-3-4-5-6-14-10-11-7-9(8-13)12(10)2/h7,13H,3-6,8H2,1-2H3
InChIKeyCNZPOMZGCCYZJN-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol?
The IUPAC name of (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol (CID 66152109) is (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol?
The canonical SMILES for (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol is CCCCCSc1ncc(CO)n1C.
What is the InChIKey of (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol?
The InChIKey is CNZPOMZGCCYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-4-5-6-14-10-11-7-9(8-13)12(10)2/h7,13H,3-6,8H2,1-2H3.
What are the key properties of (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol?
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol has a molecular weight of 214.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pentylsulfanylimidazol-4-yl)methanol is sourced from PubChem (CID 66152109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).