2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide

C23H29N3O3 — CID 155390027

IUPAC2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(CC1C2CC3CC(C2)CC1C3)Nc1ccc2nc(OC3CCOC3)[nH]c2c1
InChIInChI=1S/C23H29N3O3/c27-22(11-19-15-6-13-5-14(8-15)9-16(19)7-13)24-17-1-2-20-21(10-17)26-23(25-20)29-18-3-4-28-12-18/h1-2,10,13-16,18-19H,3-9,11-12H2,(H,24,27)(H,25,26)
InChIKeyCJVDWGNRMWJAAE-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide

2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide (PubChem CID 155390027) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide
PubChem CID155390027
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(CC1C2CC3CC(C2)CC1C3)Nc1ccc2nc(OC3CCOC3)[nH]c2c1
InChIInChI=1S/C23H29N3O3/c27-22(11-19-15-6-13-5-14(8-15)9-16(19)7-13)24-17-1-2-20-21(10-17)26-23(25-20)29-18-3-4-28-12-18/h1-2,10,13-16,18-19H,3-9,11-12H2,(H,24,27)(H,25,26)
InChIKeyCJVDWGNRMWJAAE-UHFFFAOYSA-N
XLogP4.13
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide (CID 155390027) is 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide is O=C(CC1C2CC3CC(C2)CC1C3)Nc1ccc2nc(OC3CCOC3)[nH]c2c1.
What is the InChIKey of 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is CJVDWGNRMWJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(11-19-15-6-13-5-14(8-15)9-16(19)7-13)24-17-1-2-20-21(10-17)26-23(25-20)29-18-3-4-28-12-18/h1-2,10,13-16,18-19H,3-9,11-12H2,(H,24,27)(H,25,26).
What are the key properties of 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide?
2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-N-[2-(oxolan-3-yloxy)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 155390027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).