N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide

C20H22N4OS — CID 71035957

IUPACN-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCN[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H22N4OS/c1-26-18-9-5-2-6-14(18)20(25)22-13-10-11-21-17(12-13)19-23-15-7-3-4-8-16(15)24-19/h2-9,13,17,21H,10-12H2,1H3,(H,22,25)(H,23,24)/t13-,17-/m1/s1
InChIKeyNRBQOTLRTHSNBI-CXAGYDPISA-N
MW366.49 g/mol
LogP3.51
Rot. Bonds4

About N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide

N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide (PubChem CID 71035957) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
PubChem CID71035957
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCN[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H22N4OS/c1-26-18-9-5-2-6-14(18)20(25)22-13-10-11-21-17(12-13)19-23-15-7-3-4-8-16(15)24-19/h2-9,13,17,21H,10-12H2,1H3,(H,22,25)(H,23,24)/t13-,17-/m1/s1
InChIKeyNRBQOTLRTHSNBI-CXAGYDPISA-N
XLogP3.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide 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

N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
CID 71035951
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689
[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 44783375
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride
CID 67266678
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 76559603
N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2-methylsulfanylbenzamide
CID 136662159
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide (CID 71035957) is N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@@H]1CCN[C@@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
The InChIKey is NRBQOTLRTHSNBI-CXAGYDPISA-N. The full InChI is InChI=1S/C20H22N4OS/c1-26-18-9-5-2-6-14(18)20(25)22-13-10-11-21-17(12-13)19-23-15-7-3-4-8-16(15)24-19/h2-9,13,17,21H,10-12H2,1H3,(H,22,25)(H,23,24)/t13-,17-/m1/s1.
What are the key properties of N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide?
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide has a molecular weight of 366.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 71035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).