ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate

C22H24FN3O2 — CID 6620147

IUPACethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C22H24FN3O2/c1-2-28-21(27)16-11-13-25(14-12-16)22-24-19-9-5-6-10-20(19)26(22)15-17-7-3-4-8-18(17)23/h3-10,16H,2,11-15H2,1H3
InChIKeyRMYURCACNPOUIE-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.00
Rot. Bonds5

About ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate

ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate (PubChem CID 6620147) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
PubChem CID6620147
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Nameethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1
InChIInChI=1S/C22H24FN3O2/c1-2-28-21(27)16-11-13-25(14-12-16)22-24-19-9-5-6-10-20(19)26(22)15-17-7-3-4-8-18(17)23/h3-10,16H,2,11-15H2,1H3
InChIKeyRMYURCACNPOUIE-UHFFFAOYSA-N
XLogP4.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate (CID 6620147) is ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1.
What is the InChIKey of ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate?
The InChIKey is RMYURCACNPOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-2-28-21(27)16-11-13-25(14-12-16)22-24-19-9-5-6-10-20(19)26(22)15-17-7-3-4-8-18(17)23/h3-10,16H,2,11-15H2,1H3.
What are the key properties of ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 6620147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).