N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide

C26H25ClN4O — CID 44534657

IUPACN-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C26H25ClN4O/c27-21-9-10-23-24(16-21)30-25(29-23)19-7-4-8-20(15-19)26(32)28-22-11-13-31(14-12-22)17-18-5-2-1-3-6-18/h1-10,15-16,22H,11-14,17H2,(H,28,32)(H,29,30)
InChIKeyVQJMTESEZFGSOB-UHFFFAOYSA-N
MW444.97 g/mol
LogP5.28
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide

N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide (PubChem CID 44534657) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide
PubChem CID44534657
Molecular FormulaC26H25ClN4O
Molecular Weight444.97 g/mol
Exact Mass444.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C26H25ClN4O/c27-21-9-10-23-24(16-21)30-25(29-23)19-7-4-8-20(15-19)26(32)28-22-11-13-31(14-12-22)17-18-5-2-1-3-6-18/h1-10,15-16,22H,11-14,17H2,(H,28,32)(H,29,30)
InChIKeyVQJMTESEZFGSOB-UHFFFAOYSA-N
XLogP5.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 55.28
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)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide (CID 44534657) is N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide?
The InChIKey is VQJMTESEZFGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c27-21-9-10-23-24(16-21)30-25(29-23)19-7-4-8-20(15-19)26(32)28-22-11-13-31(14-12-22)17-18-5-2-1-3-6-18/h1-10,15-16,22H,11-14,17H2,(H,28,32)(H,29,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide has a molecular weight of 444.97 g/mol, XLogP of 5.28, 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)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 44534657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).