benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate

C20H20FN3O2 — CID 22028883

IUPACbenzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C20H20FN3O2/c21-16-6-7-17-18(12-16)23-19(22-17)15-8-10-24(11-9-15)20(25)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,23)
InChIKeyNILQJLWFUOVSRQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.22
Rot. Bonds3

About benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate

benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 22028883) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
PubChem CID22028883
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Namebenzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C20H20FN3O2/c21-16-6-7-17-18(12-16)23-19(22-17)15-8-10-24(11-9-15)20(25)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,23)
InChIKeyNILQJLWFUOVSRQ-UHFFFAOYSA-N
XLogP4.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate (CID 22028883) is benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is NILQJLWFUOVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-6-7-17-18(12-16)23-19(22-17)15-8-10-24(11-9-15)20(25)26-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,23).
What are the key properties of benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22028883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).