2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide

C13H19BrN2O — CID 131884841

IUPAC2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.CCCCOc1ccccc1C1=NCCN1
InChIInChI=1S/C13H18N2O.BrH/c1-2-3-10-16-12-7-5-4-6-11(12)13-14-8-9-15-13;/h4-7H,2-3,8-10H2,1H3,(H,14,15);1H
InChIKeyVTVFQQGCRJFBGQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.79
Rot. Bonds5

About 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide

2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 131884841) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID131884841
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.CCCCOc1ccccc1C1=NCCN1
InChIInChI=1S/C13H18N2O.BrH/c1-2-3-10-16-12-7-5-4-6-11(12)13-14-8-9-15-13;/h4-7H,2-3,8-10H2,1H3,(H,14,15);1H
InChIKeyVTVFQQGCRJFBGQ-UHFFFAOYSA-N
XLogP2.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
2-[2-[(4-bromophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240374
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
CID 82243185
2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 10149352
4-(2-butoxyphenyl)pyridazine
CID 173145819
2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82249041
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252851
1-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 82241351
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
8-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]oxy]quinoline
CID 82250675

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide (CID 131884841) is 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide is Br.CCCCOc1ccccc1C1=NCCN1.
What is the InChIKey of 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is VTVFQQGCRJFBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.BrH/c1-2-3-10-16-12-7-5-4-6-11(12)13-14-8-9-15-13;/h4-7H,2-3,8-10H2,1H3,(H,14,15);1H.
What are the key properties of 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide?
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 299.21 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 131884841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).