[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone

C25H29FN4O — CID 124791723

IUPAC[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C25H29FN4O/c26-20-8-10-21(11-9-20)30-23-7-3-2-6-22(23)27-24(30)18-28-16-12-19(13-17-28)25(31)29-14-4-1-5-15-29/h2-3,6-11,19H,1,4-5,12-18H2
InChIKeyHPJIJANXSJEAGT-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.39
Rot. Bonds4

About [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 124791723) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID124791723
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C25H29FN4O/c26-20-8-10-21(11-9-20)30-23-7-3-2-6-22(23)27-24(30)18-28-16-12-19(13-17-28)25(31)29-14-4-1-5-15-29/h2-3,6-11,19H,1,4-5,12-18H2
InChIKeyHPJIJANXSJEAGT-UHFFFAOYSA-N
XLogP4.39
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 124805655
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914150
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124794977
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124818740
(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124916392
3-(1-phenylbenzimidazol-2-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 52896555
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 124791723) is [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCCCC1.
What is the InChIKey of [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is HPJIJANXSJEAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c26-20-8-10-21(11-9-20)30-23-7-3-2-6-22(23)27-24(30)18-28-16-12-19(13-17-28)25(31)29-14-4-1-5-15-29/h2-3,6-11,19H,1,4-5,12-18H2.
What are the key properties of [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 420.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 124791723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).