1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one

C27H26FN3O — CID 46081187

IUPAC1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C27H26FN3O/c28-22-12-13-24-25(19-22)31(27(29-24)21-9-5-2-6-10-21)23-15-17-30(18-16-23)26(32)14-11-20-7-3-1-4-8-20/h1-10,12-13,19,23H,11,14-18H2
InChIKeyRBYSPUYZSJPMIZ-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.64
Rot. Bonds5

About 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one

1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 46081187) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID46081187
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C27H26FN3O/c28-22-12-13-24-25(19-22)31(27(29-24)21-9-5-2-6-10-21)23-15-17-30(18-16-23)26(32)14-11-20-7-3-1-4-8-20/h1-10,12-13,19,23H,11,14-18H2
InChIKeyRBYSPUYZSJPMIZ-UHFFFAOYSA-N
XLogP5.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92767945
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 46081167
(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 46091534
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46091577
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 42272931
1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 7292594
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
1-[4-[2-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]pent-4-en-1-one
CID 42431117
1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 42483792
2-chloro-1-[4-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;hydrochloride
CID 170912582

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 46081187) is 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1.
What is the InChIKey of 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RBYSPUYZSJPMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c28-22-12-13-24-25(19-22)31(27(29-24)21-9-5-2-6-10-21)23-15-17-30(18-16-23)26(32)14-11-20-7-3-1-4-8-20/h1-10,12-13,19,23H,11,14-18H2.
What are the key properties of 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 427.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 46081187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).