2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole

C12H15BrN2 — CID 58951733

IUPAC2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
SMILESCCC(C1=NCCN1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7H2,1H3,(H,14,15)
InChIKeyDERHRFZQFACSNW-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.94
Rot. Bonds3

About 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole

2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole (PubChem CID 58951733) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
PubChem CID58951733
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
SMILESCCC(C1=NCCN1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7H2,1H3,(H,14,15)
InChIKeyDERHRFZQFACSNW-UHFFFAOYSA-N
XLogP2.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549085
2-[1-(3-bromophenyl)propyl]-4-ethylthiophene
CID 70892561
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767790
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 55019434
2-(3-bromophenyl)-N-methylpentan-3-amine
CID 79307668
2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454827
4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one
CID 168851064

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole (CID 58951733) is 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole is CCC(C1=NCCN1)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DERHRFZQFACSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole?
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole has a molecular weight of 267.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).