2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole

C10H8Cl2N2OS — CID 59599699

IUPAC2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole
SMILESO=S(Cc1ncc[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2OS/c11-7-2-1-3-8(10(7)12)16(15)6-9-13-4-5-14-9/h1-5H,6H2,(H,13,14)
InChIKeyXNIIZGWRVDIFDH-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.02
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole

2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole (PubChem CID 59599699) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole
PubChem CID59599699
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole
SMILESO=S(Cc1ncc[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2OS/c11-7-2-1-3-8(10(7)12)16(15)6-9-13-4-5-14-9/h1-5H,6H2,(H,13,14)
InChIKeyXNIIZGWRVDIFDH-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole?
The IUPAC name of 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole (CID 59599699) is 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole?
The canonical SMILES for 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole is O=S(Cc1ncc[nH]1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole?
The InChIKey is XNIIZGWRVDIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-7-2-1-3-8(10(7)12)16(15)6-9-13-4-5-14-9/h1-5H,6H2,(H,13,14).
What are the key properties of 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole?
2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole has a molecular weight of 275.16 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole is sourced from PubChem (CID 59599699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).