2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole

C13H15BrN2 — CID 82561826

IUPAC2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2/c1-10(2)16-8-7-15-13(16)9-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyHEHTYMWRENAMEV-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.82
Rot. Bonds3

About 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole

2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole (PubChem CID 82561826) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole
PubChem CID82561826
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2/c1-10(2)16-8-7-15-13(16)9-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyHEHTYMWRENAMEV-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
CID 82561825
1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
CID 171801244
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
methyl 2-[2-[(3-bromo-4-chlorophenyl)methyl]imidazol-1-yl]propanoate
CID 82561110
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741
methyl 2-[2-[(4-nitrophenyl)methyl]imidazol-1-yl]propanoate
CID 82560980
1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956131

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole (CID 82561826) is 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole is CC(C)n1ccnc1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole?
The InChIKey is HEHTYMWRENAMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-10(2)16-8-7-15-13(16)9-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole?
2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole has a molecular weight of 279.18 g/mol, XLogP of 3.82, 3 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-propan-2-ylimidazole is sourced from PubChem (CID 82561826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).