[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine

C15H18BrN3 — CID 84604334

IUPAC[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
SMILESCn1c(CN)nc(-c2ccc3c(c2)CCCC3)c1Br
InChIInChI=1S/C15H18BrN3/c1-19-13(9-17)18-14(15(19)16)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9,17H2,1H3
InChIKeySUNCSGNZCMAISV-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.19
Rot. Bonds2

About [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine

[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine (PubChem CID 84604334) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
PubChem CID84604334
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
SMILESCn1c(CN)nc(-c2ccc3c(c2)CCCC3)c1Br
InChIInChI=1S/C15H18BrN3/c1-19-13(9-17)18-14(15(19)16)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9,17H2,1H3
InChIKeySUNCSGNZCMAISV-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84604335
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82305674
[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
[2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059877
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
2-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-3-yl]acetic acid
CID 84610283
1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84604249
4-bromo-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carboxylic acid
CID 116858236
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83850139

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine?
The IUPAC name of [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine (CID 84604334) is [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine.
What is the SMILES notation for [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine?
The canonical SMILES for [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine is Cn1c(CN)nc(-c2ccc3c(c2)CCCC3)c1Br.
What is the InChIKey of [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine?
The InChIKey is SUNCSGNZCMAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-13(9-17)18-14(15(19)16)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9,17H2,1H3.
What are the key properties of [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine?
[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine has a molecular weight of 320.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine is sourced from PubChem (CID 84604334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).