N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C17H25N3O — CID 2978991

IUPACN-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NCCCn3ccnc3)CCC(C2)C1(C)C
InChIInChI=1S/C17H25N3O/c1-13-16(2,3)14-5-6-17(13,11-14)15(21)19-7-4-9-20-10-8-18-12-20/h8,10,12,14H,1,4-7,9,11H2,2-3H3,(H,19,21)
InChIKeyGSQGPXLVKDFPLX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2978991) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2978991
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NCCCn3ccnc3)CCC(C2)C1(C)C
InChIInChI=1S/C17H25N3O/c1-13-16(2,3)14-5-6-17(13,11-14)15(21)19-7-4-9-20-10-8-18-12-20/h8,10,12,14H,1,4-7,9,11H2,2-3H3,(H,19,21)
InChIKeyGSQGPXLVKDFPLX-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
(1S,2S,8S,11R,12S,16S)-15-imidazol-1-yl-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 53311922
(1S,2R,8R,11R,12S,16S)-15-imidazol-1-yl-2,16-dimethyl-6-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
CID 53311840
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 126835443
imidazol-1-yl-[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methanone
CID 155816347
(3,3-Dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154887314
(3,3-Dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 171321341
N-[1-(2-methylpropyl)imidazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 49265473
(1R*,2R*,4R*)-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56759346
4-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-N-(3-imidazol-1-ylpropyl)butanamide
CID 9843125
(1S,3aS,3bS,9aR,9bS,11aS)-1-(imidazole-1-carbonyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 10872280
N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66645371

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 2978991) is N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)NCCCn3ccnc3)CCC(C2)C1(C)C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is GSQGPXLVKDFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-16(2,3)14-5-6-17(13,11-14)15(21)19-7-4-9-20-10-8-18-12-20/h8,10,12,14H,1,4-7,9,11H2,2-3H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2978991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).