1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine

C15H18BrN3 — CID 84604249

IUPAC1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]c(Br)nc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H18BrN3/c1-17-9-13-14(19-15(16)18-13)12-7-6-10-4-2-3-5-11(10)8-12/h6-8,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyAKWYFGUOHGSXOW-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 84604249) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID84604249
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]c(Br)nc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H18BrN3/c1-17-9-13-14(19-15(16)18-13)12-7-6-10-4-2-3-5-11(10)8-12/h6-8,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyAKWYFGUOHGSXOW-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610309
1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84608935
1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84604335
1-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazol-3-yl]-N-methylmethanamine
CID 84604321
[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82305674
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
CID 84604334
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 84604249) is 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1[nH]c(Br)nc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is AKWYFGUOHGSXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-17-9-13-14(19-15(16)18-13)12-7-6-10-4-2-3-5-11(10)8-12/h6-8,17H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 84604249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).