2-(5-bromopent-2-enyl)-1-propylimidazole

C11H17BrN2 — CID 79762071

IUPAC2-(5-bromopent-2-enyl)-1-propylimidazole
SMILESCCCn1ccnc1CC=CCCBr
InChIInChI=1S/C11H17BrN2/c1-2-9-14-10-8-13-11(14)6-4-3-5-7-12/h3-4,8,10H,2,5-7,9H2,1H3
InChIKeyNKAHVGVOASKEOF-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.18
Rot. Bonds6

About 2-(5-bromopent-2-enyl)-1-propylimidazole

2-(5-bromopent-2-enyl)-1-propylimidazole (PubChem CID 79762071) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-(5-bromopent-2-enyl)-1-propylimidazole.

Molecular Properties

Compound Name2-(5-bromopent-2-enyl)-1-propylimidazole
PubChem CID79762071
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name2-(5-bromopent-2-enyl)-1-propylimidazole
SMILESCCCn1ccnc1CC=CCCBr
InChIInChI=1S/C11H17BrN2/c1-2-9-14-10-8-13-11(14)6-4-3-5-7-12/h3-4,8,10H,2,5-7,9H2,1H3
InChIKeyNKAHVGVOASKEOF-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromopent-2-enyl)-1-propylimidazole 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

ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopent-2-enyl)-1-propylimidazole?
The IUPAC name of 2-(5-bromopent-2-enyl)-1-propylimidazole (CID 79762071) is 2-(5-bromopent-2-enyl)-1-propylimidazole.
What is the SMILES notation for 2-(5-bromopent-2-enyl)-1-propylimidazole?
The canonical SMILES for 2-(5-bromopent-2-enyl)-1-propylimidazole is CCCn1ccnc1CC=CCCBr.
What is the InChIKey of 2-(5-bromopent-2-enyl)-1-propylimidazole?
The InChIKey is NKAHVGVOASKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-9-14-10-8-13-11(14)6-4-3-5-7-12/h3-4,8,10H,2,5-7,9H2,1H3.
What are the key properties of 2-(5-bromopent-2-enyl)-1-propylimidazole?
2-(5-bromopent-2-enyl)-1-propylimidazole has a molecular weight of 257.18 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopent-2-enyl)-1-propylimidazole is sourced from PubChem (CID 79762071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).