N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide

C14H21N3O — CID 81257647

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)n1ccnc1)C2
InChIInChI=1S/C14H21N3O/c1-13(2)10-4-5-14(13,3)11(8-10)16-12(18)17-7-6-15-9-17/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyKNXKOYSOJZLBBV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds1

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide (PubChem CID 81257647) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
PubChem CID81257647
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)n1ccnc1)C2
InChIInChI=1S/C14H21N3O/c1-13(2)10-4-5-14(13,3)11(8-10)16-12(18)17-7-6-15-9-17/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyKNXKOYSOJZLBBV-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide (CID 81257647) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)n1ccnc1)C2.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide?
The InChIKey is KNXKOYSOJZLBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2)10-4-5-14(13,3)11(8-10)16-12(18)17-7-6-15-9-17/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).