6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide

C22H23FN4O2 — CID 134811033

IUPAC6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)cc3ncn(C)c23)CC1=O
InChIInChI=1S/C22H23FN4O2/c1-26-8-7-14(9-20(26)28)12-24-22(29)18-10-16(15-3-5-17(23)6-4-15)11-19-21(18)27(2)13-25-19/h3-6,10-11,13-14H,7-9,12H2,1-2H3,(H,24,29)
InChIKeyVWJSORYEVOIQOG-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.98
Rot. Bonds4

About 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide

6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide (PubChem CID 134811033) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide
PubChem CID134811033
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)cc3ncn(C)c23)CC1=O
InChIInChI=1S/C22H23FN4O2/c1-26-8-7-14(9-20(26)28)12-24-22(29)18-10-16(15-3-5-17(23)6-4-15)11-19-21(18)27(2)13-25-19/h3-6,10-11,13-14H,7-9,12H2,1-2H3,(H,24,29)
InChIKeyVWJSORYEVOIQOG-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide 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 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide (CID 134811033) is 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide is CN1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)cc3ncn(C)c23)CC1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide?
The InChIKey is VWJSORYEVOIQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-26-8-7-14(9-20(26)28)12-24-22(29)18-10-16(15-3-5-17(23)6-4-15)11-19-21(18)27(2)13-25-19/h3-6,10-11,13-14H,7-9,12H2,1-2H3,(H,24,29).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 134811033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).