4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide

C19H20N4S — CID 43815863

IUPAC4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H20N4S/c24-19(20-15-6-2-1-3-7-15)23-12-10-14(11-13-23)18-21-16-8-4-5-9-17(16)22-18/h1-9,14H,10-13H2,(H,20,24)(H,21,22)
InChIKeyHICKZHYETAYAGG-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.14
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide

4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide (PubChem CID 43815863) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide
PubChem CID43815863
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H20N4S/c24-19(20-15-6-2-1-3-7-15)23-12-10-14(11-13-23)18-21-16-8-4-5-9-17(16)22-18/h1-9,14H,10-13H2,(H,20,24)(H,21,22)
InChIKeyHICKZHYETAYAGG-UHFFFAOYSA-N
XLogP4.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide
CID 1430350
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)piperidine-1-carbothioamide
CID 43815871
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
4-(1,3-benzoxazol-2-yl)-N-phenylpiperidine-1-carbothioamide
CID 1430254
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
(3S)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474217
(3R)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474218
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
3-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carbothioamide
CID 3223996

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide (CID 43815863) is 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide is S=C(Nc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide?
The InChIKey is HICKZHYETAYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c24-19(20-15-6-2-1-3-7-15)23-12-10-14(11-13-23)18-21-16-8-4-5-9-17(16)22-18/h1-9,14H,10-13H2,(H,20,24)(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide?
4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide has a molecular weight of 336.46 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carbothioamide is sourced from PubChem (CID 43815863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).