1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one

C18H24FN3O — CID 46108984

IUPAC1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1nc2ccc(F)cc2n1C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C18H24FN3O/c1-12(2)10-18(23)21-8-6-15(7-9-21)22-13(3)20-16-5-4-14(19)11-17(16)22/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyDBCDDZQZCKCUMW-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.69
Rot. Bonds3

About 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one

1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 46108984) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID46108984
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1nc2ccc(F)cc2n1C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C18H24FN3O/c1-12(2)10-18(23)21-8-6-15(7-9-21)22-13(3)20-16-5-4-14(19)11-17(16)22/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyDBCDDZQZCKCUMW-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92767945
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 1469458
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methylbutanoic acid
CID 62932786
[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 46109071
1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
CID 110091965
1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 10812266
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46091577
2-(1-chloroethyl)-6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 62377544

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one (CID 46108984) is 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one is Cc1nc2ccc(F)cc2n1C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is DBCDDZQZCKCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12(2)10-18(23)21-8-6-15(7-9-21)22-13(3)20-16-5-4-14(19)11-17(16)22/h4-5,11-12,15H,6-10H2,1-3H3.
What are the key properties of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 317.41 g/mol, XLogP of 3.69, 3 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-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 46108984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).