2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide

C26H28N4O2 — CID 11304932

IUPAC2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1
InChIInChI=1S/C26H28N4O2/c1-15(31)27-21-5-2-19(3-6-21)24-28-22-7-4-20(11-23(22)29-24)25(32)30-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyQYUXSINMERBBPJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.89
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide

2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide (PubChem CID 11304932) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide
PubChem CID11304932
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1
InChIInChI=1S/C26H28N4O2/c1-15(31)27-21-5-2-19(3-6-21)24-28-22-7-4-20(11-23(22)29-24)25(32)30-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyQYUXSINMERBBPJ-UHFFFAOYSA-N
XLogP4.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 11318815
2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 11488738
N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide
CID 58953867
N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide
CID 142169310
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
4-(6-acetamido-1H-benzimidazol-2-yl)-N-[(3S,5R)-3-prop-2-enyl-1-bicyclo[3.3.1]nonanyl]benzamide
CID 89329753
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide
CID 20695068
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide (CID 11304932) is 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide is CC(=O)Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is QYUXSINMERBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-15(31)27-21-5-2-19(3-6-21)24-28-22-7-4-20(11-23(22)29-24)25(32)30-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,27,31)(H,28,29)(H,30,32).
What are the key properties of 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide?
2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11304932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).