6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole

C17H14Cl2N2O2S — CID 11199882

IUPAC6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole
SMILESCc1cc(/C=C/S(=O)(=O)Cc2nc3ccc(Cl)cc3[nH]2)ccc1Cl
InChIInChI=1S/C17H14Cl2N2O2S/c1-11-8-12(2-4-14(11)19)6-7-24(22,23)10-17-20-15-5-3-13(18)9-16(15)21-17/h2-9H,10H2,1H3,(H,20,21)/b7-6+
InChIKeyKPOVIPBWBHMRSG-VOTSOKGWSA-N
MW381.28 g/mol
LogP4.76
Rot. Bonds4

About 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole

6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole (PubChem CID 11199882) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole
PubChem CID11199882
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC Name6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole
SMILESCc1cc(/C=C/S(=O)(=O)Cc2nc3ccc(Cl)cc3[nH]2)ccc1Cl
InChIInChI=1S/C17H14Cl2N2O2S/c1-11-8-12(2-4-14(11)19)6-7-24(22,23)10-17-20-15-5-3-13(18)9-16(15)21-17/h2-9H,10H2,1H3,(H,20,21)/b7-6+
InChIKeyKPOVIPBWBHMRSG-VOTSOKGWSA-N
XLogP4.76
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfonyl]-1-(4-fluoro-3-methylphenyl)ethanol
CID 11222801
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole (CID 11199882) is 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole is Cc1cc(/C=C/S(=O)(=O)Cc2nc3ccc(Cl)cc3[nH]2)ccc1Cl.
What is the InChIKey of 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole?
The InChIKey is KPOVIPBWBHMRSG-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-11-8-12(2-4-14(11)19)6-7-24(22,23)10-17-20-15-5-3-13(18)9-16(15)21-17/h2-9H,10H2,1H3,(H,20,21)/b7-6+.
What are the key properties of 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole?
6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole has a molecular weight of 381.28 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1H-benzimidazole is sourced from PubChem (CID 11199882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).