1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

C16H22BrN3O — CID 106566799

IUPAC1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3O/c1-3-21-10-6-9-18-16-19-13(2)11-20(16)12-14-7-4-5-8-15(14)17/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyPBGLRSDUTZDHNK-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.84
Rot. Bonds8

About 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106566799) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106566799
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3O/c1-3-21-10-6-9-18-16-19-13(2)11-20(16)12-14-7-4-5-8-15(14)17/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyPBGLRSDUTZDHNK-UHFFFAOYSA-N
XLogP3.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
CID 106557065
1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106568715
N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
CID 106563145
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563088
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
4-methyl-1-(naphthalen-1-ylmethyl)-N-propylimidazol-2-amine
CID 106571366
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106566799) is 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is PBGLRSDUTZDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-3-21-10-6-9-18-16-19-13(2)11-20(16)12-14-7-4-5-8-15(14)17/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 352.28 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106566799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).