[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

C23H27N3O3S — CID 52536369

IUPAC[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H27N3O3S/c1-16(2)30(28,29)18-13-11-17(12-14-18)23(27)26-15-7-6-10-21(26)22-24-19-8-4-5-9-20(19)25(22)3/h4-5,8-9,11-14,16,21H,6-7,10,15H2,1-3H3/t21-/m1/s1
InChIKeyNONFDJQNEHQTKE-OAQYLSRUSA-N
MW425.55 g/mol
LogP4.12
Rot. Bonds4

About [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone (PubChem CID 52536369) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
PubChem CID52536369
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H27N3O3S/c1-16(2)30(28,29)18-13-11-17(12-14-18)23(27)26-15-7-6-10-21(26)22-24-19-8-4-5-9-20(19)25(22)3/h4-5,8-9,11-14,16,21H,6-7,10,15H2,1-3H3/t21-/m1/s1
InChIKeyNONFDJQNEHQTKE-OAQYLSRUSA-N
XLogP4.12
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 99212282
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 71937675
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
[2-(aminomethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119468234
(4-propan-2-ylsulfonylphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55776937

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone?
The IUPAC name of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone (CID 52536369) is [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone?
The canonical SMILES for [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone is CC(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1.
What is the InChIKey of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone?
The InChIKey is NONFDJQNEHQTKE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16(2)30(28,29)18-13-11-17(12-14-18)23(27)26-15-7-6-10-21(26)22-24-19-8-4-5-9-20(19)25(22)3/h4-5,8-9,11-14,16,21H,6-7,10,15H2,1-3H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone?
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone has a molecular weight of 425.55 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone is sourced from PubChem (CID 52536369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).