N-(1-adamantyl)imidazole-1-carboxamide

C14H19N3O — CID 4502359

IUPACN-(1-adamantyl)imidazole-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)n1ccnc1
InChIInChI=1S/C14H19N3O/c18-13(17-2-1-15-9-17)16-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2,(H,16,18)
InChIKeyBJKAOVOIBFRJAO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds1

About N-(1-adamantyl)imidazole-1-carboxamide

N-(1-adamantyl)imidazole-1-carboxamide (PubChem CID 4502359) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-adamantyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)imidazole-1-carboxamide
PubChem CID4502359
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1-adamantyl)imidazole-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)n1ccnc1
InChIInChI=1S/C14H19N3O/c18-13(17-2-1-15-9-17)16-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2,(H,16,18)
InChIKeyBJKAOVOIBFRJAO-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantyl)-1H-imidazole
CID 323381
1,3-Bis(tricyclo[3.3.1.13,7]dec-1-yl)-1H-imidazolium
CID 2734916
Urea, N-[3-(1H-imidazol-1-yl)propyl]-N'-tricyclo[3.3.1.1(3,7)]dec-1-yl-
CID 5062873
N-(1-adamantyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
CID 3000189
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
1-(Adamantyl)-2-methylimidazole
CID 15502851
1-[3-(1H-imidazol-1-yl)propyl]-3-[(adamantan-1-yl)methyl]urea
CID 177932997
1-[3-(1H-imidazol-1-yl)propyl]-3-(adamantan-2-yl)urea
CID 177932999
1-(1-adamantyl)-3-[3-(1H-imidazol-3-ium-3-yl)propyl]urea
CID 122707110
N-[2-(adamantan-1-yl)ethyl]-1h-imidazole-1-carboxamide
CID 154585198
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]adamantan-1-amine
CID 43244232
N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]adamantan-1-amine
CID 99833620

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)imidazole-1-carboxamide?
The IUPAC name of N-(1-adamantyl)imidazole-1-carboxamide (CID 4502359) is N-(1-adamantyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)imidazole-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)n1ccnc1.
What is the InChIKey of N-(1-adamantyl)imidazole-1-carboxamide?
The InChIKey is BJKAOVOIBFRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-13(17-2-1-15-9-17)16-14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2,(H,16,18).
What are the key properties of N-(1-adamantyl)imidazole-1-carboxamide?
N-(1-adamantyl)imidazole-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)imidazole-1-carboxamide is sourced from PubChem (CID 4502359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).