(1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H23N3O — CID 56759346

IUPAC(1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1nccn1CC1(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C17H23N3O/c1-12-18-6-7-20(12)11-17(4-5-17)10-19-16(21)15-9-13-2-3-14(15)8-13/h2-3,6-7,13-15H,4-5,8-11H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyYXILKIXKJLIYMI-QLFBSQMISA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds5

About (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 56759346) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID56759346
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1nccn1CC1(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C17H23N3O/c1-12-18-6-7-20(12)11-17(4-5-17)10-19-16(21)15-9-13-2-3-14(15)8-13/h2-3,6-7,13-15H,4-5,8-11H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyYXILKIXKJLIYMI-QLFBSQMISA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3R,4S)-3-N-(3-imidazol-1-ylpropyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495602
N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propyl]-2-methylguanidine
CID 109605550
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]-2-methylguanidine
CID 109609464
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]-3-ethylguanidine
CID 109610820
2-cyclopent-2-en-1-yl-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 128994478
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129477091
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129477092
N-[3-(1H-imidazol-1-yl)propyl]-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxamide
CID 2978991
N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47016929
3-(3-Imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 73131347
N-(3-imidazol-1-ylpropyl)-6-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463355

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 56759346) is (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cc1nccn1CC1(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1.
What is the InChIKey of (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is YXILKIXKJLIYMI-QLFBSQMISA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-18-6-7-20(12)11-17(4-5-17)10-19-16(21)15-9-13-2-3-14(15)8-13/h2-3,6-7,13-15H,4-5,8-11H2,1H3,(H,19,21)/t13-,14+,15-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 56759346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).