N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide

C27H26Cl2N4O — CID 44534279

IUPACN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C27H26Cl2N4O/c1-17-13-19(7-8-21(17)26-31-24-14-22(28)23(29)15-25(24)32-26)27(34)30-20-9-11-33(12-10-20)16-18-5-3-2-4-6-18/h2-8,13-15,20H,9-12,16H2,1H3,(H,30,34)(H,31,32)
InChIKeyXEDUXCYHEQJVAN-UHFFFAOYSA-N
MW493.44 g/mol
LogP6.24
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide

N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide (PubChem CID 44534279) has the molecular formula C27H26Cl2N4O and a molecular weight of 493.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide
PubChem CID44534279
Molecular FormulaC27H26Cl2N4O
Molecular Weight493.44 g/mol
Exact Mass492.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C27H26Cl2N4O/c1-17-13-19(7-8-21(17)26-31-24-14-22(28)23(29)15-25(24)32-26)27(34)30-20-9-11-33(12-10-20)16-18-5-3-2-4-6-18/h2-8,13-15,20H,9-12,16H2,1H3,(H,30,34)(H,31,32)
InChIKeyXEDUXCYHEQJVAN-UHFFFAOYSA-N
XLogP6.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.44
LogP ≤ 56.24
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-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide (CID 44534279) is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide?
The InChIKey is XEDUXCYHEQJVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O/c1-17-13-19(7-8-21(17)26-31-24-14-22(28)23(29)15-25(24)32-26)27(34)30-20-9-11-33(12-10-20)16-18-5-3-2-4-6-18/h2-8,13-15,20H,9-12,16H2,1H3,(H,30,34)(H,31,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide?
N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide has a molecular weight of 493.44 g/mol, XLogP of 6.24, 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-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 44534279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).