(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C18H21N3O2 — CID 129378072

IUPAC(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1nccn1Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C18H21N3O2/c22-18(15-10-14-6-7-16(15)23-14)20-11-17-19-8-9-21(17)12-13-4-2-1-3-5-13/h1-5,8-9,14-16H,6-7,10-12H2,(H,20,22)/t14-,15-,16-/m1/s1
InChIKeyJLWLGMBXIUGZOT-BZUAXINKSA-N
MW311.38 g/mol
LogP2.12
Rot. Bonds5

About (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 129378072) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID129378072
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1nccn1Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C18H21N3O2/c22-18(15-10-14-6-7-16(15)23-14)20-11-17-19-8-9-21(17)12-13-4-2-1-3-5-13/h1-5,8-9,14-16H,6-7,10-12H2,(H,20,22)/t14-,15-,16-/m1/s1
InChIKeyJLWLGMBXIUGZOT-BZUAXINKSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 98849989
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852704
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 119353292
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154921156
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 42951665

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 129378072) is (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1nccn1Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JLWLGMBXIUGZOT-BZUAXINKSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(15-10-14-6-7-16(15)23-14)20-11-17-19-8-9-21(17)12-13-4-2-1-3-5-13/h1-5,8-9,14-16H,6-7,10-12H2,(H,20,22)/t14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 129378072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).