N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide

C21H24N4OS — CID 17466400

IUPACN-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
SMILESCn1c(=S)n(CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N4OS/c1-23-18-9-5-6-10-19(18)25(21(23)27)15-24-13-11-17(12-14-24)22-20(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,22,26)
InChIKeyHWCFYFMVIRPCES-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.56
Rot. Bonds4

About N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide

N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 17466400) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
PubChem CID17466400
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
SMILESCn1c(=S)n(CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N4OS/c1-23-18-9-5-6-10-19(18)25(21(23)27)15-24-13-11-17(12-14-24)22-20(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,22,26)
InChIKeyHWCFYFMVIRPCES-UHFFFAOYSA-N
XLogP3.56
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
CID 26000412
N-[1-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 17461272
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(benzimidazol-1-ylmethyl)piperidin-4-yl]benzamide
CID 18142091
N-[1-[(3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidin-4-yl]benzamide
CID 17479548
N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide
CID 18285209
N-[1-[[4-(4-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide
CID 26000617
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]piperidin-4-yl]benzamide
CID 42887911
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide (CID 17466400) is N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide is Cn1c(=S)n(CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is HWCFYFMVIRPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-23-18-9-5-6-10-19(18)25(21(23)27)15-24-13-11-17(12-14-24)22-20(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,22,26).
What are the key properties of N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 380.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 17466400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).