[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine

C15H20BrN3 — CID 84604929

IUPAC[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine
SMILESCc1ccc(C)c(CCc2nc(CN)n(C)c2Br)c1
InChIInChI=1S/C15H20BrN3/c1-10-4-5-11(2)12(8-10)6-7-13-15(16)19(3)14(9-17)18-13/h4-5,8H,6-7,9,17H2,1-3H3
InChIKeyYJICAVPTPYNGSM-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.04
Rot. Bonds4

About [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine

[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine (PubChem CID 84604929) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine
PubChem CID84604929
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine
SMILESCc1ccc(C)c(CCc2nc(CN)n(C)c2Br)c1
InChIInChI=1S/C15H20BrN3/c1-10-4-5-11(2)12(8-10)6-7-13-15(16)19(3)14(9-17)18-13/h4-5,8H,6-7,9,17H2,1-3H3
InChIKeyYJICAVPTPYNGSM-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313774
CID 68591460
CID 68591460
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82086302
(1,4,5-trimethylbenzimidazol-2-yl)methanamine
CID 84618787
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643893
2-amino-4-(2,5-dimethylphenyl)-2-methylbutanenitrile
CID 82076657
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine?
The IUPAC name of [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine (CID 84604929) is [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine.
What is the SMILES notation for [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine?
The canonical SMILES for [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine is Cc1ccc(C)c(CCc2nc(CN)n(C)c2Br)c1.
What is the InChIKey of [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine?
The InChIKey is YJICAVPTPYNGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-4-5-11(2)12(8-10)6-7-13-15(16)19(3)14(9-17)18-13/h4-5,8H,6-7,9,17H2,1-3H3.
What are the key properties of [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine?
[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine has a molecular weight of 322.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine is sourced from PubChem (CID 84604929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).