(2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

C20H18F3N3O — CID 1469472

IUPAC(2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nc2cc(F)ccc2n1C1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H18F3N3O/c1-12-24-17-11-13(21)5-6-18(17)26(12)14-7-9-25(10-8-14)20(27)19-15(22)3-2-4-16(19)23/h2-6,11,14H,7-10H2,1H3
InChIKeyJXBVNXITYOIIBI-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.24
Rot. Bonds2

About (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

(2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 1469472) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID1469472
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name(2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nc2cc(F)ccc2n1C1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H18F3N3O/c1-12-24-17-11-13(21)5-6-18(17)26(12)14-7-9-25(10-8-14)20(27)19-15(22)3-2-4-16(19)23/h2-6,11,14H,7-10H2,1H3
InChIKeyJXBVNXITYOIIBI-UHFFFAOYSA-N
XLogP4.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]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 (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 1469472) is (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is Cc1nc2cc(F)ccc2n1C1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is JXBVNXITYOIIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-24-17-11-13(21)5-6-18(17)26(12)14-7-9-25(10-8-14)20(27)19-15(22)3-2-4-16(19)23/h2-6,11,14H,7-10H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 373.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).