N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide

C20H23N3O — CID 141106162

IUPACN-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C20H23N3O/c24-20(15-3-1-14(2-4-15)18-10-21-11-22-18)23-19-16-6-12-5-13(8-16)9-17(19)7-12/h1-4,10-13,16-17,19H,5-9H2,(H,21,22)(H,23,24)
InChIKeyRMNROVDMBLSWHR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.63
Rot. Bonds3

About N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide

N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide (PubChem CID 141106162) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide
PubChem CID141106162
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C20H23N3O/c24-20(15-3-1-14(2-4-15)18-10-21-11-22-18)23-19-16-6-12-5-13(8-16)9-17(19)7-12/h1-4,10-13,16-17,19H,5-9H2,(H,21,22)(H,23,24)
InChIKeyRMNROVDMBLSWHR-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide?
The IUPAC name of N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide (CID 141106162) is N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide.
What is the SMILES notation for N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide?
The canonical SMILES for N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide?
The InChIKey is RMNROVDMBLSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(15-3-1-14(2-4-15)18-10-21-11-22-18)23-19-16-6-12-5-13(8-16)9-17(19)7-12/h1-4,10-13,16-17,19H,5-9H2,(H,21,22)(H,23,24).
What are the key properties of N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide?
N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-(1H-imidazol-5-yl)benzamide is sourced from PubChem (CID 141106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).