benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate

C21H22FN3O2 — CID 22028235

IUPACbenzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate
SMILESCn1c(C2CCN(C(=O)OCc3ccccc3)CC2)nc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O2/c1-24-19-8-7-17(22)13-18(19)23-20(24)16-9-11-25(12-10-16)21(26)27-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3
InChIKeyHHAPERXZCPPBIO-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.23
Rot. Bonds3

About benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate

benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 22028235) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate
PubChem CID22028235
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Namebenzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate
SMILESCn1c(C2CCN(C(=O)OCc3ccccc3)CC2)nc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O2/c1-24-19-8-7-17(22)13-18(19)23-20(24)16-9-11-25(12-10-16)21(26)27-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3
InChIKeyHHAPERXZCPPBIO-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate (CID 22028235) is benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate is Cn1c(C2CCN(C(=O)OCc3ccccc3)CC2)nc2cc(F)ccc21.
What is the InChIKey of benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is HHAPERXZCPPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-19-8-7-17(22)13-18(19)23-20(24)16-9-11-25(12-10-16)21(26)27-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3.
What are the key properties of benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate?
benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22028235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).