(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C23H25FN4O — CID 166618672

IUPAC(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nc3ccc(F)cc3[nH]2)CC1)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C23H25FN4O/c24-18-6-7-19-20(12-18)27-21(26-19)17-8-10-28(11-9-17)22(29)23(14-25-15-23)13-16-4-2-1-3-5-16/h1-7,12,17,25H,8-11,13-15H2,(H,26,27)
InChIKeyRNOCJYVOTKJGHU-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.24
Rot. Bonds4

About (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 166618672) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID166618672
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nc3ccc(F)cc3[nH]2)CC1)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C23H25FN4O/c24-18-6-7-19-20(12-18)27-21(26-19)17-8-10-28(11-9-17)22(29)23(14-25-15-23)13-16-4-2-1-3-5-16/h1-7,12,17,25H,8-11,13-15H2,(H,26,27)
InChIKeyRNOCJYVOTKJGHU-UHFFFAOYSA-N
XLogP3.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 70726537
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56905261
benzyl 4-(6-cyano-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 22028923
benzyl 4-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 139827231
1-ethyl-3-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 45165523
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 162815057

Frequently Asked Questions

What is the IUPAC name of (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 166618672) is (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is O=C(N1CCC(c2nc3ccc(F)cc3[nH]2)CC1)C1(Cc2ccccc2)CNC1.
What is the InChIKey of (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RNOCJYVOTKJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-18-6-7-19-20(12-18)27-21(26-19)17-8-10-28(11-9-17)22(29)23(14-25-15-23)13-16-4-2-1-3-5-16/h1-7,12,17,25H,8-11,13-15H2,(H,26,27).
What are the key properties of (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166618672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).