N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide

C15H21N3O — CID 118776187

IUPACN-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide
SMILESCC1(C)[C@H]2CC=C(CCNC(=O)c3cnc[nH]3)[C@@H]1C2
InChIInChI=1S/C15H21N3O/c1-15(2)11-4-3-10(12(15)7-11)5-6-17-14(19)13-8-16-9-18-13/h3,8-9,11-12H,4-7H2,1-2H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1
InChIKeyQDOLFDMMWCMSGG-RYUDHWBXSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds4

About N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide

N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide (PubChem CID 118776187) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide
PubChem CID118776187
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide
SMILESCC1(C)[C@H]2CC=C(CCNC(=O)c3cnc[nH]3)[C@@H]1C2
InChIInChI=1S/C15H21N3O/c1-15(2)11-4-3-10(12(15)7-11)5-6-17-14(19)13-8-16-9-18-13/h3,8-9,11-12H,4-7H2,1-2H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1
InChIKeyQDOLFDMMWCMSGG-RYUDHWBXSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-acetamido-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 118785895
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]propanoic acid
CID 130925830
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-pyrazin-2-ylpropanamide
CID 118789106
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]adamantane-1-carboxamide
CID 150781593
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-2-(triazol-1-yl)acetamide
CID 118764894
2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-1H-benzimidazole-5-carboxamide
CID 164695309
N-(3-methoxypropyl)-1H-imidazole-5-carboxamide
CID 110684258
N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
CID 115629259
N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
CID 115703669
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-[(1-hydroxycyclobutyl)methyl]-1H-imidazole-5-carboxamide
CID 115668958

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide (CID 118776187) is N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide is CC1(C)[C@H]2CC=C(CCNC(=O)c3cnc[nH]3)[C@@H]1C2.
What is the InChIKey of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is QDOLFDMMWCMSGG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)11-4-3-10(12(15)7-11)5-6-17-14(19)13-8-16-9-18-13/h3,8-9,11-12H,4-7H2,1-2H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1.
What are the key properties of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide?
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 118776187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).