2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole

C13H13BrN2 — CID 82561825

IUPAC2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
SMILESC=CCn1ccnc1Cc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2/c1-2-8-16-9-7-15-13(16)10-11-3-5-12(14)6-4-11/h2-7,9H,1,8,10H2
InChIKeyULURBVUKARCKTN-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.42
Rot. Bonds4

About 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole

2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole (PubChem CID 82561825) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
PubChem CID82561825
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
SMILESC=CCn1ccnc1Cc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2/c1-2-8-16-9-7-15-13(16)10-11-3-5-12(14)6-4-11/h2-7,9H,1,8,10H2
InChIKeyULURBVUKARCKTN-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole
CID 82561826
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589
1-prop-2-enyl-2-[(1-prop-2-enylimidazol-2-yl)disulfanyl]imidazole
CID 87557536
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561954
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
CID 107605118
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole (CID 82561825) is 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole is C=CCn1ccnc1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole?
The InChIKey is ULURBVUKARCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-2-8-16-9-7-15-13(16)10-11-3-5-12(14)6-4-11/h2-7,9H,1,8,10H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole?
2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole has a molecular weight of 277.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole is sourced from PubChem (CID 82561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).