(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone

C15H14N2OS — CID 3507182

IUPAC(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone
SMILESCSC1=NCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2OS/c1-19-15-16-8-9-17(15)14(18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChIKeyNDNYLRPNJLDZKS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.01
Rot. Bonds1

About (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone

(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone (PubChem CID 3507182) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone
PubChem CID3507182
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone
SMILESCSC1=NCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2OS/c1-19-15-16-8-9-17(15)14(18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChIKeyNDNYLRPNJLDZKS-UHFFFAOYSA-N
XLogP3.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone (CID 3507182) is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone is CSC1=NCCN1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is NDNYLRPNJLDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-19-15-16-8-9-17(15)14(18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3.
What are the key properties of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone?
(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 270.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 3507182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).