2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride

C11H13ClN2O2S — CID 84713416

IUPAC2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride
SMILESCc1nc2cccc(S(=O)(=O)Cl)c2n1C(C)C
InChIInChI=1S/C11H13ClN2O2S/c1-7(2)14-8(3)13-9-5-4-6-10(11(9)14)17(12,15)16/h4-7H,1-3H3
InChIKeyCWPWFKXQMSLOBA-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride

2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride (PubChem CID 84713416) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride
PubChem CID84713416
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride
SMILESCc1nc2cccc(S(=O)(=O)Cl)c2n1C(C)C
InChIInChI=1S/C11H13ClN2O2S/c1-7(2)14-8(3)13-9-5-4-6-10(11(9)14)17(12,15)16/h4-7H,1-3H3
InChIKeyCWPWFKXQMSLOBA-UHFFFAOYSA-N
XLogP2.85
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-3-propan-2-ylbenzimidazol-4-yl)ethynyl thiohypoiodite
CID 143798417
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride
CID 83825720
5-(2,3-dimethylphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366057
2-methyl-3-[1-(methylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 112577197
2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride
CID 81038986
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride
CID 129451497
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
CID 60786773
3-chloroquinoline-5-sulfonyl chloride
CID 118997328
1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride?
The IUPAC name of 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride (CID 84713416) is 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride?
The canonical SMILES for 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride is Cc1nc2cccc(S(=O)(=O)Cl)c2n1C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride?
The InChIKey is CWPWFKXQMSLOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7(2)14-8(3)13-9-5-4-6-10(11(9)14)17(12,15)16/h4-7H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride?
2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride has a molecular weight of 272.76 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylbenzimidazole-4-sulfonyl chloride is sourced from PubChem (CID 84713416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).