N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide

C15H23N3O — CID 91902289

IUPACN-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CN=C(C(=O)NC23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C15H23N3O/c1-9-8-16-13(17-9)14(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKFBPHHUFSDCHOA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.46
Rot. Bonds2

About N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide

N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91902289) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91902289
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CN=C(C(=O)NC23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C15H23N3O/c1-9-8-16-13(17-9)14(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKFBPHHUFSDCHOA-UHFFFAOYSA-N
XLogP1.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(5S)-N-(1-adamantyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91902289) is N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide is CC1CN=C(C(=O)NC23CC4CC(CC(C4)C2)C3)N1.
What is the InChIKey of N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is KFBPHHUFSDCHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-8-16-13(17-9)14(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91902289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).