4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide

C19H19FN4S — CID 1462301

IUPAC4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
SMILESFc1ccc2c(c1)ncn2C1CCN(C(=S)Nc2ccccc2)CC1
InChIInChI=1S/C19H19FN4S/c20-14-6-7-18-17(12-14)21-13-24(18)16-8-10-23(11-9-16)19(25)22-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11H2,(H,22,25)
InChIKeyFYJLRJZPCFYQGE-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.21
Rot. Bonds2

About 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide

4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide (PubChem CID 1462301) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
PubChem CID1462301
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC Name4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
SMILESFc1ccc2c(c1)ncn2C1CCN(C(=S)Nc2ccccc2)CC1
InChIInChI=1S/C19H19FN4S/c20-14-6-7-18-17(12-14)21-13-24(18)16-8-10-23(11-9-16)19(25)22-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11H2,(H,22,25)
InChIKeyFYJLRJZPCFYQGE-UHFFFAOYSA-N
XLogP4.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide?
The IUPAC name of 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide (CID 1462301) is 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide?
The canonical SMILES for 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide is Fc1ccc2c(c1)ncn2C1CCN(C(=S)Nc2ccccc2)CC1.
What is the InChIKey of 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide?
The InChIKey is FYJLRJZPCFYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c20-14-6-7-18-17(12-14)21-13-24(18)16-8-10-23(11-9-16)19(25)22-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11H2,(H,22,25).
What are the key properties of 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide?
4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide has a molecular weight of 354.45 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide is sourced from PubChem (CID 1462301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).