methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate

C22H24FN3O2 — CID 69164151

IUPACmethyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(CN1CCC(c3ccccc3F)CC1)n2C
InChIInChI=1S/C22H24FN3O2/c1-25-20-8-7-16(22(27)28-2)13-19(20)24-21(25)14-26-11-9-15(10-12-26)17-5-3-4-6-18(17)23/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyLWCHAPNCLYPMAB-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.88
Rot. Bonds4

About methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate

methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate (PubChem CID 69164151) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate
PubChem CID69164151
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Namemethyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(CN1CCC(c3ccccc3F)CC1)n2C
InChIInChI=1S/C22H24FN3O2/c1-25-20-8-7-16(22(27)28-2)13-19(20)24-21(25)14-26-11-9-15(10-12-26)17-5-3-4-6-18(17)23/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyLWCHAPNCLYPMAB-UHFFFAOYSA-N
XLogP3.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate (CID 69164151) is methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(CN1CCC(c3ccccc3F)CC1)n2C.
What is the InChIKey of methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate?
The InChIKey is LWCHAPNCLYPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-25-20-8-7-16(22(27)28-2)13-19(20)24-21(25)14-26-11-9-15(10-12-26)17-5-3-4-6-18(17)23/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate?
methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 69164151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).