5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole

C9H8BrClN2S — CID 130854781

IUPAC5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole
SMILESCSCc1nc2cc(Br)c(Cl)cc2[nH]1
InChIInChI=1S/C9H8BrClN2S/c1-14-4-9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyHXYGTQAGZOLEKI-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.84
Rot. Bonds2

About 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole

5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole (PubChem CID 130854781) has the molecular formula C9H8BrClN2S and a molecular weight of 291.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole
PubChem CID130854781
Molecular FormulaC9H8BrClN2S
Molecular Weight291.60 g/mol
Exact Mass289.93
IUPAC Name5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole
SMILESCSCc1nc2cc(Br)c(Cl)cc2[nH]1
InChIInChI=1S/C9H8BrClN2S/c1-14-4-9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyHXYGTQAGZOLEKI-UHFFFAOYSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
CID 112756970
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
5,6-dichloro-2-[[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylmethyl]-1H-benzimidazole
CID 146291283
5,6-dichloro-2-(3-ethoxypropyl)-1H-benzimidazole
CID 82003888
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole (CID 130854781) is 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole is CSCc1nc2cc(Br)c(Cl)cc2[nH]1.
What is the InChIKey of 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole?
The InChIKey is HXYGTQAGZOLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2S/c1-14-4-9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole?
5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole has a molecular weight of 291.60 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2-(methylsulfanylmethyl)-1H-benzimidazole is sourced from PubChem (CID 130854781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).