1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole

C19H21N3O2S — CID 66613922

IUPAC1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole
SMILESO=S(=O)(c1ccc(Cn2cnc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C19H21N3O2S/c23-25(24,22-12-4-1-5-13-22)17-10-8-16(9-11-17)14-21-15-20-18-6-2-3-7-19(18)21/h2-3,6-11,15H,1,4-5,12-14H2
InChIKeyLBAXZSPABKWJAV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds4

About 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole (PubChem CID 66613922) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole
PubChem CID66613922
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole
SMILESO=S(=O)(c1ccc(Cn2cnc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C19H21N3O2S/c23-25(24,22-12-4-1-5-13-22)17-10-8-16(9-11-17)14-21-15-20-18-6-2-3-7-19(18)21/h2-3,6-11,15H,1,4-5,12-14H2
InChIKeyLBAXZSPABKWJAV-UHFFFAOYSA-N
XLogP3.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(benzimidazol-1-yl)propyl]propanamide
CID 24553342
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4034423
1-[[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031243
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
CID 43350320
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole (CID 66613922) is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole is O=S(=O)(c1ccc(Cn2cnc3ccccc32)cc1)N1CCCCC1.
What is the InChIKey of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole?
The InChIKey is LBAXZSPABKWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-25(24,22-12-4-1-5-13-22)17-10-8-16(9-11-17)14-21-15-20-18-6-2-3-7-19(18)21/h2-3,6-11,15H,1,4-5,12-14H2.
What are the key properties of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole?
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole has a molecular weight of 355.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole is sourced from PubChem (CID 66613922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).