N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide

C26H24ClFN4O — CID 44534293

IUPACN-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1
InChIInChI=1S/C26H24ClFN4O/c27-21-14-23-24(15-22(21)28)31-25(30-23)18-6-8-19(9-7-18)26(33)29-20-10-12-32(13-11-20)16-17-4-2-1-3-5-17/h1-9,14-15,20H,10-13,16H2,(H,29,33)(H,30,31)
InChIKeyDTYLDXCKQFPPKY-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.42
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide

N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide (PubChem CID 44534293) has the molecular formula C26H24ClFN4O and a molecular weight of 462.96 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide
PubChem CID44534293
Molecular FormulaC26H24ClFN4O
Molecular Weight462.96 g/mol
Exact Mass462.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1
InChIInChI=1S/C26H24ClFN4O/c27-21-14-23-24(15-22(21)28)31-25(30-23)18-6-8-19(9-7-18)26(33)29-20-10-12-32(13-11-20)16-17-4-2-1-3-5-17/h1-9,14-15,20H,10-13,16H2,(H,29,33)(H,30,31)
InChIKeyDTYLDXCKQFPPKY-UHFFFAOYSA-N
XLogP5.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide (CID 44534293) is N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide?
The InChIKey is DTYLDXCKQFPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O/c27-21-14-23-24(15-22(21)28)31-25(30-23)18-6-8-19(9-7-18)26(33)29-20-10-12-32(13-11-20)16-17-4-2-1-3-5-17/h1-9,14-15,20H,10-13,16H2,(H,29,33)(H,30,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide?
N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide has a molecular weight of 462.96 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 44534293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).