(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol

C14H18N2OS — CID 96540629

IUPAC(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol
SMILESC[C@H](CO)SCc1nccn1Cc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-12(10-17)18-11-14-15-7-8-16(14)9-13-5-3-2-4-6-13/h2-8,12,17H,9-11H2,1H3/t12-/m1/s1
InChIKeySDNMPNZVEYAXJD-GFCCVEGCSA-N
MW262.38 g/mol
LogP2.55
Rot. Bonds6

About (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol

(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 96540629) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol
PubChem CID96540629
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol
SMILESC[C@H](CO)SCc1nccn1Cc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-12(10-17)18-11-14-15-7-8-16(14)9-13-5-3-2-4-6-13/h2-8,12,17H,9-11H2,1H3/t12-/m1/s1
InChIKeySDNMPNZVEYAXJD-GFCCVEGCSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
1-benzyl-2-octylimidazole
CID 70491727
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
[2-(1-benzylimidazol-2-yl)-1-phosphonoethyl]phosphonic acid
CID 23043549
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
1-benzyl-2-methylimidazole
CID 158634472
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol (CID 96540629) is (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol is C[C@H](CO)SCc1nccn1Cc1ccccc1.
What is the InChIKey of (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is SDNMPNZVEYAXJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-12(10-17)18-11-14-15-7-8-16(14)9-13-5-3-2-4-6-13/h2-8,12,17H,9-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol?
(2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-benzylimidazol-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 96540629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).