[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone

C27H26FN3O2 — CID 46091576

IUPAC[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)c1C
InChIInChI=1S/C27H26FN3O2/c1-18-22(9-6-10-25(18)33-2)27(32)30-15-13-21(14-16-30)31-24-17-20(28)11-12-23(24)29-26(31)19-7-4-3-5-8-19/h3-12,17,21H,13-16H2,1-2H3
InChIKeyREFMJGXDQREZAJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.64
Rot. Bonds4

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

[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone (PubChem CID 46091576) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
PubChem CID46091576
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)c1C
InChIInChI=1S/C27H26FN3O2/c1-18-22(9-6-10-25(18)33-2)27(32)30-15-13-21(14-16-30)31-24-17-20(28)11-12-23(24)29-26(31)19-7-4-3-5-8-19/h3-12,17,21H,13-16H2,1-2H3
InChIKeyREFMJGXDQREZAJ-UHFFFAOYSA-N
XLogP5.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone?
The IUPAC name of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone (CID 46091576) is [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone is COc1cccc(C(=O)N2CCC(n3c(-c4ccccc4)nc4ccc(F)cc43)CC2)c1C.
What is the InChIKey of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone?
The InChIKey is REFMJGXDQREZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-18-22(9-6-10-25(18)33-2)27(32)30-15-13-21(14-16-30)31-24-17-20(28)11-12-23(24)29-26(31)19-7-4-3-5-8-19/h3-12,17,21H,13-16H2,1-2H3.
What are the key properties of [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone?
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone has a molecular weight of 443.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 46091576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).