2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole

C24H23N3OS — CID 91129152

IUPAC2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N3OS/c28-29(21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24/h1-13,20H,14-17H2,(H,25,26)
InChIKeyCUFITAXNTHXPFQ-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.13
Rot. Bonds4

About 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole

2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 91129152) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole
PubChem CID91129152
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N3OS/c28-29(21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24/h1-13,20H,14-17H2,(H,25,26)
InChIKeyCUFITAXNTHXPFQ-UHFFFAOYSA-N
XLogP5.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole 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

2-[1-(3,4-difluorophenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole
CID 135296628
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde
CID 87398851
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 46851674

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole (CID 91129152) is 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole is O=S(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is CUFITAXNTHXPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c28-29(21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24/h1-13,20H,14-17H2,(H,25,26).
What are the key properties of 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole?
2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 401.54 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 91129152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).