1-methyl-2-propylbenzimidazole-5-sulfonyl chloride

C11H13ClN2O2S — CID 82502066

IUPAC1-methyl-2-propylbenzimidazole-5-sulfonyl chloride
SMILESCCCc1nc2cc(S(=O)(=O)Cl)ccc2n1C
InChIInChI=1S/C11H13ClN2O2S/c1-3-4-11-13-9-7-8(17(12,15)16)5-6-10(9)14(11)2/h5-7H,3-4H2,1-2H3
InChIKeyQZNCNJFPWAEKBR-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride

1-methyl-2-propylbenzimidazole-5-sulfonyl chloride (PubChem CID 82502066) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-2-propylbenzimidazole-5-sulfonyl chloride
PubChem CID82502066
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name1-methyl-2-propylbenzimidazole-5-sulfonyl chloride
SMILESCCCc1nc2cc(S(=O)(=O)Cl)ccc2n1C
InChIInChI=1S/C11H13ClN2O2S/c1-3-4-11-13-9-7-8(17(12,15)16)5-6-10(9)14(11)2/h5-7H,3-4H2,1-2H3
InChIKeyQZNCNJFPWAEKBR-UHFFFAOYSA-N
XLogP2.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-1-methyl-5-methylsulfonylbenzimidazole
CID 70545396
1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
CID 82500246
1-methylbenzotriazole-5-sulfonyl chloride
CID 83671062
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide
CID 55601933
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
(2,4-dimethylphenyl) 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
CID 39489569

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride?
The IUPAC name of 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride (CID 82502066) is 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride?
The canonical SMILES for 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride is CCCc1nc2cc(S(=O)(=O)Cl)ccc2n1C.
What is the InChIKey of 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride?
The InChIKey is QZNCNJFPWAEKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-3-4-11-13-9-7-8(17(12,15)16)5-6-10(9)14(11)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride?
1-methyl-2-propylbenzimidazole-5-sulfonyl chloride has a molecular weight of 272.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylbenzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 82502066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).