2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine

C21H25FN4S — CID 14518042

IUPAC2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
SMILESNCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4S/c22-17-7-5-16(6-8-17)15-26-20-4-2-1-3-19(20)24-21(26)27-18-9-12-25(13-10-18)14-11-23/h1-8,18H,9-15,23H2
InChIKeyVTXPGPBUWDRZCS-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine

2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine (PubChem CID 14518042) has the molecular formula C21H25FN4S and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
PubChem CID14518042
Molecular FormulaC21H25FN4S
Molecular Weight384.52 g/mol
Exact Mass384.18
IUPAC Name2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
SMILESNCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4S/c22-17-7-5-16(6-8-17)15-26-20-4-2-1-3-19(20)24-21(26)27-18-9-12-25(13-10-18)14-11-23/h1-8,18H,9-15,23H2
InChIKeyVTXPGPBUWDRZCS-UHFFFAOYSA-N
XLogP3.74
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
CID 14013334
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
CID 12891645
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882
2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride
CID 141037025
2-[[1-[2-(1-ethyltetrazol-5-yl)sulfanylethyl]piperidin-4-yl]methyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 14013173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine (CID 14518042) is 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine is NCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine?
The InChIKey is VTXPGPBUWDRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4S/c22-17-7-5-16(6-8-17)15-26-20-4-2-1-3-19(20)24-21(26)27-18-9-12-25(13-10-18)14-11-23/h1-8,18H,9-15,23H2.
What are the key properties of 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine?
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine has a molecular weight of 384.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 14518042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).