1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride

C10H11ClN2O2S — CID 82500246

IUPAC1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
SMILESCCn1c(C)nc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C10H11ClN2O2S/c1-3-13-7(2)12-9-6-8(16(11,14)15)4-5-10(9)13/h4-6H,3H2,1-2H3
InChIKeyOJAOSXMQEGSQMT-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.29
Rot. Bonds2

About 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride

1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride (PubChem CID 82500246) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
PubChem CID82500246
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
SMILESCCn1c(C)nc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C10H11ClN2O2S/c1-3-13-7(2)12-9-6-8(16(11,14)15)4-5-10(9)13/h4-6H,3H2,1-2H3
InChIKeyOJAOSXMQEGSQMT-UHFFFAOYSA-N
XLogP2.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-diethyl-2-methylbenzimidazole-5-sulfonimidic acid
CID 594854
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
1-methyl-2-propylbenzimidazole-5-sulfonyl chloride
CID 82502066
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 82498102
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82493448
1-methylbenzotriazole-5-sulfonyl chloride
CID 83671062

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride?
The IUPAC name of 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride (CID 82500246) is 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride?
The canonical SMILES for 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride is CCn1c(C)nc2cc(S(=O)(=O)Cl)ccc21.
What is the InChIKey of 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride?
The InChIKey is OJAOSXMQEGSQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-3-13-7(2)12-9-6-8(16(11,14)15)4-5-10(9)13/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride?
1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride has a molecular weight of 258.73 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 82500246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).