6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one

C12H7ClN2O3S — CID 14317532

IUPAC6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one
SMILESO=C1C=C(n2ccnc2)S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H7ClN2O3S/c13-8-1-2-11-9(5-8)10(16)6-12(19(11,17)18)15-4-3-14-7-15/h1-7H
InChIKeyBLSPFPHGAMEMNA-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.01
Rot. Bonds1

About 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one

6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one (PubChem CID 14317532) has the molecular formula C12H7ClN2O3S and a molecular weight of 294.72 g/mol. Its IUPAC name is 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one
PubChem CID14317532
Molecular FormulaC12H7ClN2O3S
Molecular Weight294.72 g/mol
Exact Mass293.99
IUPAC Name6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one
SMILESO=C1C=C(n2ccnc2)S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H7ClN2O3S/c13-8-1-2-11-9(5-8)10(16)6-12(19(11,17)18)15-4-3-14-7-15/h1-7H
InChIKeyBLSPFPHGAMEMNA-UHFFFAOYSA-N
XLogP2.01
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
CID 21497391
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
CID 21497416
5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide
CID 91620771
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402
7-bromo-6-chloro-3-imidazol-1-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 11485244
11,14,22,26-tetrachloro-7,18-bis(4-imidazol-1-ylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 139252101
1-[5-chloro-2-[(3-chlorophenyl)methyl]phenyl]imidazole
CID 152746844
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
CID 21481605
3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
CID 19762679
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one?
The IUPAC name of 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one (CID 14317532) is 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one.
What is the SMILES notation for 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one?
The canonical SMILES for 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one is O=C1C=C(n2ccnc2)S(=O)(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one?
The InChIKey is BLSPFPHGAMEMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3S/c13-8-1-2-11-9(5-8)10(16)6-12(19(11,17)18)15-4-3-14-7-15/h1-7H.
What are the key properties of 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one?
6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one has a molecular weight of 294.72 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imidazol-1-yl-1,1-dioxothiochromen-4-one is sourced from PubChem (CID 14317532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).