N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

C15H23N3O — CID 49265473

IUPACN-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)Cn1ccnc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H23N3O/c1-10(2)9-18-6-5-16-15(18)17-14(19)13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,16,17,19)
InChIKeyRMBZQFSHYVAHQA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 49265473) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID49265473
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)Cn1ccnc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H23N3O/c1-10(2)9-18-6-5-16-15(18)17-14(19)13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,16,17,19)
InChIKeyRMBZQFSHYVAHQA-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 49265473) is N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is CC(C)Cn1ccnc1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RMBZQFSHYVAHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)9-18-6-5-16-15(18)17-14(19)13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 49265473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).