(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C20H23N3O — CID 98201282

IUPAC(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C20H23N3O/c1-22(20(24)18-12-16-7-8-17(18)11-16)14-19-21-9-10-23(19)13-15-5-3-2-4-6-15/h2-10,16-18H,11-14H2,1H3/t16-,17-,18-/m0/s1
InChIKeyKIKBZXKYVLHLAK-BZSNNMDCSA-N
MW321.42 g/mol
LogP3.10
Rot. Bonds5

About (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98201282) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98201282
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C20H23N3O/c1-22(20(24)18-12-16-7-8-17(18)11-16)14-19-21-9-10-23(19)13-15-5-3-2-4-6-15/h2-10,16-18H,11-14H2,1H3/t16-,17-,18-/m0/s1
InChIKeyKIKBZXKYVLHLAK-BZSNNMDCSA-N
XLogP3.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122566922
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CID 97195532
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
(1R,2S,4R)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56748968
(1R,2S,4S)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98443190
N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
CID 77083818
trans-(1-benzylimidazol-2-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 95608797
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
(3S,5R)-3-[(1-benzylimidazol-2-yl)methyl-methylamino]-5-methyloxolan-2-one
CID 95902998
N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42818873
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98201282) is (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KIKBZXKYVLHLAK-BZSNNMDCSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22(20(24)18-12-16-7-8-17(18)11-16)14-19-21-9-10-23(19)13-15-5-3-2-4-6-15/h2-10,16-18H,11-14H2,1H3/t16-,17-,18-/m0/s1.
What are the key properties of (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98201282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).