4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol

C15H14N2OS — CID 112596145

IUPAC4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESCn1ccnc1CSc1ccc(O)c2ccccc12
InChIInChI=1S/C15H14N2OS/c1-17-9-8-16-15(17)10-19-14-7-6-13(18)11-4-2-3-5-12(11)14/h2-9,18H,10H2,1H3
InChIKeyIXYZQABKPLYCTE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.57
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol

4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol (PubChem CID 112596145) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol
PubChem CID112596145
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESCn1ccnc1CSc1ccc(O)c2ccccc12
InChIInChI=1S/C15H14N2OS/c1-17-9-8-16-15(17)10-19-14-7-6-13(18)11-4-2-3-5-12(11)14/h2-9,18H,10H2,1H3
InChIKeyIXYZQABKPLYCTE-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 52662333
4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
CID 115945221
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol
CID 115945183
4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596130
2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
CID 82560146
2,5-bis[(1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 52662332
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47259171
3-[(1-methylimidazol-2-yl)methylsulfanyl]aniline
CID 79133511
3-(3,4-dimethylphenyl)-2-[(1-methylimidazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 55488213
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol
CID 105374587

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol (CID 112596145) is 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol is Cn1ccnc1CSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is IXYZQABKPLYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17-9-8-16-15(17)10-19-14-7-6-13(18)11-4-2-3-5-12(11)14/h2-9,18H,10H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol?
4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 270.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 112596145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).