2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide

C24H24N4O2S — CID 71660204

IUPAC2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc2[nH]c(-c3cccs3)nc2cc1N1CCCCC1
InChIInChI=1S/C24H24N4O2S/c1-30-21-9-4-3-8-16(21)24(29)27-19-14-17-18(15-20(19)28-11-5-2-6-12-28)26-23(25-17)22-10-7-13-31-22/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,25,26)(H,27,29)
InChIKeyUWJSOQBLVMHBRO-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.54
Rot. Bonds5

About 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide

2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide (PubChem CID 71660204) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
PubChem CID71660204
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc2[nH]c(-c3cccs3)nc2cc1N1CCCCC1
InChIInChI=1S/C24H24N4O2S/c1-30-21-9-4-3-8-16(21)24(29)27-19-14-17-18(15-20(19)28-11-5-2-6-12-28)26-23(25-17)22-10-7-13-31-22/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,25,26)(H,27,29)
InChIKeyUWJSOQBLVMHBRO-UHFFFAOYSA-N
XLogP5.54
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide (CID 71660204) is 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide is COc1ccccc1C(=O)Nc1cc2[nH]c(-c3cccs3)nc2cc1N1CCCCC1.
What is the InChIKey of 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
The InChIKey is UWJSOQBLVMHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-30-21-9-4-3-8-16(21)24(29)27-19-14-17-18(15-20(19)28-11-5-2-6-12-28)26-23(25-17)22-10-7-13-31-22/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 71660204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).