1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole

C15H21N3O2S — CID 110760379

IUPAC1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
SMILESCc1nc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2n1C
InChIInChI=1S/C15H21N3O2S/c1-11-6-8-18(9-7-11)21(19,20)13-4-5-15-14(10-13)16-12(2)17(15)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyXORUIPHXJBFYAV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.30
Rot. Bonds2

About 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole

1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole (PubChem CID 110760379) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
PubChem CID110760379
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
SMILESCc1nc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2n1C
InChIInChI=1S/C15H21N3O2S/c1-11-6-8-18(9-7-11)21(19,20)13-4-5-15-14(10-13)16-12(2)17(15)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyXORUIPHXJBFYAV-UHFFFAOYSA-N
XLogP2.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 110760390
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole?
The IUPAC name of 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole (CID 110760379) is 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole.
What is the SMILES notation for 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole?
The canonical SMILES for 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole is Cc1nc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole?
The InChIKey is XORUIPHXJBFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-6-8-18(9-7-11)21(19,20)13-4-5-15-14(10-13)16-12(2)17(15)3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole?
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole has a molecular weight of 307.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole is sourced from PubChem (CID 110760379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).