[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol

C16H22N2O2S — CID 42795516

IUPAC[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCOCCCn1c(CO)cnc1SCc1cccc(C)c1
InChIInChI=1S/C16H22N2O2S/c1-13-5-3-6-14(9-13)12-21-16-17-10-15(11-19)18(16)7-4-8-20-2/h3,5-6,9-10,19H,4,7-8,11-12H2,1-2H3
InChIKeyZGHBBGQQQGIZMF-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.01
Rot. Bonds8

About [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol

[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 42795516) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID42795516
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCOCCCn1c(CO)cnc1SCc1cccc(C)c1
InChIInChI=1S/C16H22N2O2S/c1-13-5-3-6-14(9-13)12-21-16-17-10-15(11-19)18(16)7-4-8-20-2/h3,5-6,9-10,19H,4,7-8,11-12H2,1-2H3
InChIKeyZGHBBGQQQGIZMF-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576195
4-[[5-(hydroxymethyl)-1-(3-methoxypropyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
CID 42795513
methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 7115154
[3-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576484
[3-[(3-methylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795310
[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795463
2-[2-[(3-chlorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 18571090
[2-[(3-methoxyphenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 3332733
methyl 3-[[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42795475
methyl 3-[[5-(hydroxymethyl)-1-(2-hydroxypropyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42796977
[3-methyl-2-[3-(3-methylphenoxy)propylsulfanyl]imidazol-4-yl]methanol
CID 66150900
2-[5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7219440

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 42795516) is [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol is COCCCn1c(CO)cnc1SCc1cccc(C)c1.
What is the InChIKey of [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is ZGHBBGQQQGIZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-13-5-3-6-14(9-13)12-21-16-17-10-15(11-19)18(16)7-4-8-20-2/h3,5-6,9-10,19H,4,7-8,11-12H2,1-2H3.
What are the key properties of [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 306.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 42795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).