(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone

C27H26FN3O — CID 46091534

IUPAC(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)cc1C
InChIInChI=1S/C27H26FN3O/c1-18-8-9-21(16-19(18)2)27(32)30-14-12-23(13-15-30)31-25-17-22(28)10-11-24(25)29-26(31)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15H2,1-2H3
InChIKeyMMDXMOFSGYYJDE-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.94
Rot. Bonds3

About (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone

(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 46091534) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID46091534
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)cc1C
InChIInChI=1S/C27H26FN3O/c1-18-8-9-21(16-19(18)2)27(32)30-14-12-23(13-15-30)31-25-17-22(28)10-11-24(25)29-26(31)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15H2,1-2H3
InChIKeyMMDXMOFSGYYJDE-UHFFFAOYSA-N
XLogP5.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 46091577
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 46081167
(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92767945
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515885
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
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-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190523
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 46091534) is (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is MMDXMOFSGYYJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c1-18-8-9-21(16-19(18)2)27(32)30-14-12-23(13-15-30)31-25-17-22(28)10-11-24(25)29-26(31)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 427.52 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46091534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).