1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine

C15H18BrN3 — CID 84604335

IUPAC1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc3c(c2)CCC3)c(Br)n1C
InChIInChI=1S/C15H18BrN3/c1-17-9-13-18-14(15(16)19(13)2)12-7-6-10-4-3-5-11(10)8-12/h6-8,17H,3-5,9H2,1-2H3
InChIKeyLVQUSRBYIVEWTR-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.06
Rot. Bonds3

About 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine

1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine (PubChem CID 84604335) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
PubChem CID84604335
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc3c(c2)CCC3)c(Br)n1C
InChIInChI=1S/C15H18BrN3/c1-17-9-13-18-14(15(16)19(13)2)12-7-6-10-4-3-5-11(10)8-12/h6-8,17H,3-5,9H2,1-2H3
InChIKeyLVQUSRBYIVEWTR-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
CID 84604334
1-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-2-methylpyrazol-3-yl]-N-methylmethanamine
CID 84604321
1-[2-bromo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84604249
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-[4-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84604787
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
3-(chloromethyl)-5-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,2,4-triazole
CID 115398430
2-[4-(1,3-benzoxazol-6-yl)-5-bromo-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610372
2-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-3-yl]acetic acid
CID 84610283
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43524715

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine (CID 84604335) is 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2ccc3c(c2)CCC3)c(Br)n1C.
What is the InChIKey of 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The InChIKey is LVQUSRBYIVEWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-17-9-13-18-14(15(16)19(13)2)12-7-6-10-4-3-5-11(10)8-12/h6-8,17H,3-5,9H2,1-2H3.
What are the key properties of 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine?
1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84604335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).