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

C24H28FN3O2 — CID 14013012

IUPACethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2/c1-2-30-24(29)17-27-13-11-18(12-14-27)15-23-26-21-5-3-4-6-22(21)28(23)16-19-7-9-20(25)10-8-19/h3-10,18H,2,11-17H2,1H3
InChIKeyXKXRQRYYJMRDON-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.04
Rot. Bonds7

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

ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate (PubChem CID 14013012) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
PubChem CID14013012
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Nameethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2/c1-2-30-24(29)17-27-13-11-18(12-14-27)15-23-26-21-5-3-4-6-22(21)28(23)16-19-7-9-20(25)10-8-19/h3-10,18H,2,11-17H2,1H3
InChIKeyXKXRQRYYJMRDON-UHFFFAOYSA-N
XLogP4.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enylpiperidin-4-yl)methyl]benzimidazole;oxalic acid
CID 162331537
bis(4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole);oxaldehyde
CID 173410501
2-[[1-[2-(1-ethyltetrazol-5-yl)sulfanylethyl]piperidin-4-yl]methyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 14013173
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
CID 14013278
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-oxo-2-thiophen-2-ylacetamide;oxalic acid
CID 14013266
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 14518026
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
but-2-enedioic acid;bis(1-[(4-fluorophenyl)methyl]-2-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]benzimidazol-5-ol)
CID 173396798
1-[(4-fluorophenyl)methyl]-2-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]benzimidazol-5-ol
CID 14013151
2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
CID 70492080
2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid
CID 142209544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate (CID 14013012) is ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate?
The InChIKey is XKXRQRYYJMRDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-2-30-24(29)17-27-13-11-18(12-14-27)15-23-26-21-5-3-4-6-22(21)28(23)16-19-7-9-20(25)10-8-19/h3-10,18H,2,11-17H2,1H3.
What are the key properties of ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate?
ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate has a molecular weight of 409.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 14013012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).