5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide

C23H35N3O — CID 141021598

IUPAC5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N3O/c24-21(27)20-19(25-22(26-20)18-5-2-1-3-6-18)7-4-8-23-12-15-9-16(13-23)11-17(10-15)14-23/h15-18H,1-14H2,(H2,24,27)(H,25,26)
InChIKeyJMOGEBFELYFNDS-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.10
Rot. Bonds6

About 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide

5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide (PubChem CID 141021598) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
PubChem CID141021598
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35N3O/c24-21(27)20-19(25-22(26-20)18-5-2-1-3-6-18)7-4-8-23-12-15-9-16(13-23)11-17(10-15)14-23/h15-18H,1-14H2,(H2,24,27)(H,25,26)
InChIKeyJMOGEBFELYFNDS-UHFFFAOYSA-N
XLogP5.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide (CID 141021598) is 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCCC2)[nH]c1CCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
The InChIKey is JMOGEBFELYFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c24-21(27)20-19(25-22(26-20)18-5-2-1-3-6-18)7-4-8-23-12-15-9-16(13-23)11-17(10-15)14-23/h15-18H,1-14H2,(H2,24,27)(H,25,26).
What are the key properties of 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide?
5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).