2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide

C26H29N3O — CID 3916771

IUPAC2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H29N3O/c1-16-6-7-20(25-28-21-4-2-3-5-22(21)29-25)11-23(16)27-24(30)15-26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyAJFPZIZXULAGPH-UHFFFAOYSA-N
MW399.54 g/mol
LogP6.08
Rot. Bonds4

About 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide

2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 3916771) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
PubChem CID3916771
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H29N3O/c1-16-6-7-20(25-28-21-4-2-3-5-22(21)29-25)11-23(16)27-24(30)15-26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyAJFPZIZXULAGPH-UHFFFAOYSA-N
XLogP6.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide
CID 3905152
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
2-(1-adamantyl)-N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide
CID 5197012
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 2173445
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
CID 46785986
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
2-(1-adamantyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3158012

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide (CID 3916771) is 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide?
The InChIKey is AJFPZIZXULAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-16-6-7-20(25-28-21-4-2-3-5-22(21)29-25)11-23(16)27-24(30)15-26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide?
2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 3916771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).