4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C24H29FN4O — CID 25118496

IUPAC4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(Cn3cnc4cccc(F)c43)cc2)CC1
InChIInChI=1S/C24H29FN4O/c1-17(2)28-13-11-20(12-14-28)27(3)24(30)19-9-7-18(8-10-19)15-29-16-26-22-6-4-5-21(25)23(22)29/h4-10,16-17,20H,11-15H2,1-3H3
InChIKeyCPVOSGKJRPSZBS-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.17
Rot. Bonds5

About 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide

4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 25118496) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID25118496
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(Cn3cnc4cccc(F)c43)cc2)CC1
InChIInChI=1S/C24H29FN4O/c1-17(2)28-13-11-20(12-14-28)27(3)24(30)19-9-7-18(8-10-19)15-29-16-26-22-6-4-5-21(25)23(22)29/h4-10,16-17,20H,11-15H2,1-3H3
InChIKeyCPVOSGKJRPSZBS-UHFFFAOYSA-N
XLogP4.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 25118496) is 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(N(C)C(=O)c2ccc(Cn3cnc4cccc(F)c43)cc2)CC1.
What is the InChIKey of 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is CPVOSGKJRPSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-17(2)28-13-11-20(12-14-28)27(3)24(30)19-9-7-18(8-10-19)15-29-16-26-22-6-4-5-21(25)23(22)29/h4-10,16-17,20H,11-15H2,1-3H3.
What are the key properties of 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 25118496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).