(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C24H32N4O — CID 146044537

IUPAC(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)=CC[C@@]1(C(=O)N(C)Cc2nccn2Cc2ccccc2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C24H32N4O/c1-18(2)11-12-24(15-20-9-10-21(24)26-20)23(29)27(3)17-22-25-13-14-28(22)16-19-7-5-4-6-8-19/h4-8,11,13-14,20-21,26H,9-10,12,15-17H2,1-3H3/t20-,21+,24+/m0/s1
InChIKeyUAJZAZUURWWYJX-YZUZCNPQSA-N
MW392.55 g/mol
LogP3.76
Rot. Bonds7

About (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 146044537) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID146044537
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)=CC[C@@]1(C(=O)N(C)Cc2nccn2Cc2ccccc2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C24H32N4O/c1-18(2)11-12-24(15-20-9-10-21(24)26-20)23(29)27(3)17-22-25-13-14-28(22)16-19-7-5-4-6-8-19/h4-8,11,13-14,20-21,26H,9-10,12,15-17H2,1-3H3/t20-,21+,24+/m0/s1
InChIKeyUAJZAZUURWWYJX-YZUZCNPQSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

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

What is the IUPAC name of (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 146044537) is (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC(C)=CC[C@@]1(C(=O)N(C)Cc2nccn2Cc2ccccc2)C[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UAJZAZUURWWYJX-YZUZCNPQSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18(2)11-12-24(15-20-9-10-21(24)26-20)23(29)27(3)17-22-25-13-14-28(22)16-19-7-5-4-6-8-19/h4-8,11,13-14,20-21,26H,9-10,12,15-17H2,1-3H3/t20-,21+,24+/m0/s1.
What are the key properties of (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 146044537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).