5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one

C23H26FN3O2 — CID 87951177

IUPAC5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one
SMILESCCCCc1ccc(C(=O)N2CCC(c3cc4[nH]c(=O)[nH]c4cc3F)CC2)cc1
InChIInChI=1S/C23H26FN3O2/c1-2-3-4-15-5-7-17(8-6-15)22(28)27-11-9-16(10-12-27)18-13-20-21(14-19(18)24)26-23(29)25-20/h5-8,13-14,16H,2-4,9-12H2,1H3,(H2,25,26,29)
InChIKeyGJMYUHRIYMZUQO-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.36
Rot. Bonds5

About 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one

5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one (PubChem CID 87951177) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one
PubChem CID87951177
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one
SMILESCCCCc1ccc(C(=O)N2CCC(c3cc4[nH]c(=O)[nH]c4cc3F)CC2)cc1
InChIInChI=1S/C23H26FN3O2/c1-2-3-4-15-5-7-17(8-6-15)22(28)27-11-9-16(10-12-27)18-13-20-21(14-19(18)24)26-23(29)25-20/h5-8,13-14,16H,2-4,9-12H2,1H3,(H2,25,26,29)
InChIKeyGJMYUHRIYMZUQO-UHFFFAOYSA-N
XLogP4.36
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155531741
(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 90987266
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447
3-[4-(4-butylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814673
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one (CID 87951177) is 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one is CCCCc1ccc(C(=O)N2CCC(c3cc4[nH]c(=O)[nH]c4cc3F)CC2)cc1.
What is the InChIKey of 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GJMYUHRIYMZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-3-4-15-5-7-17(8-6-15)22(28)27-11-9-16(10-12-27)18-13-20-21(14-19(18)24)26-23(29)25-20/h5-8,13-14,16H,2-4,9-12H2,1H3,(H2,25,26,29).
What are the key properties of 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one?
5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 395.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 87951177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).