1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole

C19H23N3O3S — CID 136516661

IUPAC1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole
SMILESCc1ccc(C2CC(C)CCN2S(=O)(=O)c2ccc3c(c2)ncn3C)o1
InChIInChI=1S/C19H23N3O3S/c1-13-8-9-22(18(10-13)19-7-4-14(2)25-19)26(23,24)15-5-6-17-16(11-15)20-12-21(17)3/h4-7,11-13,18H,8-10H2,1-3H3
InChIKeyHLRKEWODYBTNRC-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.64
Rot. Bonds3

About 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole

1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole (PubChem CID 136516661) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole.

Molecular Properties

Compound Name1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole
PubChem CID136516661
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole
SMILESCc1ccc(C2CC(C)CCN2S(=O)(=O)c2ccc3c(c2)ncn3C)o1
InChIInChI=1S/C19H23N3O3S/c1-13-8-9-22(18(10-13)19-7-4-14(2)25-19)26(23,24)15-5-6-17-16(11-15)20-12-21(17)3/h4-7,11-13,18H,8-10H2,1-3H3
InChIKeyHLRKEWODYBTNRC-UHFFFAOYSA-N
XLogP3.64
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
CID 95770658
2-(1-methylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110760272
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
ethyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818643
1-[4-(1-methylbenzimidazol-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796418
methyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818613
4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
CID 133332577
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
CID 99847176
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133332575
2-methyl-1-[4-(1-methylbenzimidazol-5-yl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796978

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole?
The IUPAC name of 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole (CID 136516661) is 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole.
What is the SMILES notation for 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole?
The canonical SMILES for 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole is Cc1ccc(C2CC(C)CCN2S(=O)(=O)c2ccc3c(c2)ncn3C)o1.
What is the InChIKey of 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole?
The InChIKey is HLRKEWODYBTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-8-9-22(18(10-13)19-7-4-14(2)25-19)26(23,24)15-5-6-17-16(11-15)20-12-21(17)3/h4-7,11-13,18H,8-10H2,1-3H3.
What are the key properties of 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole?
1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole has a molecular weight of 373.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]sulfonylbenzimidazole is sourced from PubChem (CID 136516661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).