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

C24H28FN3O — CID 92767945

IUPAC(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)CC(=O)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C24H28FN3O/c1-3-17(2)15-23(29)27-13-11-20(12-14-27)28-22-16-19(25)9-10-21(22)26-24(28)18-7-5-4-6-8-18/h4-10,16-17,20H,3,11-15H2,1-2H3/t17-/m0/s1
InChIKeyNVZRGHCYOGVHQM-KRWDZBQOSA-N
MW393.51 g/mol
LogP5.44
Rot. Bonds5

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

(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 92767945) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
PubChem CID92767945
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)CC(=O)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C24H28FN3O/c1-3-17(2)15-23(29)27-13-11-20(12-14-27)28-22-16-19(25)9-10-21(22)26-24(28)18-7-5-4-6-8-18/h4-10,16-17,20H,3,11-15H2,1-2H3/t17-/m0/s1
InChIKeyNVZRGHCYOGVHQM-KRWDZBQOSA-N
XLogP5.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46091577
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
[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
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
(3S)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768051
(3R)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768050
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methylbutanoic acid
CID 62932786
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol
CID 135186385

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one (CID 92767945) is (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one is CC[C@H](C)CC(=O)N1CCC(n2c(-c3ccccc3)nc3ccc(F)cc32)CC1.
What is the InChIKey of (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is NVZRGHCYOGVHQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-3-17(2)15-23(29)27-13-11-20(12-14-27)28-22-16-19(25)9-10-21(22)26-24(28)18-7-5-4-6-8-18/h4-10,16-17,20H,3,11-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one?
(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 393.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 92767945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).