N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine

C16H22BrN3 — CID 65171768

IUPACN-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3/c1-12-18-9-14(10-19-16(2,3)4)20(12)11-13-7-5-6-8-15(13)17/h5-9,19H,10-11H2,1-4H3
InChIKeyJBGLHYUXKRKCJW-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.89
Rot. Bonds4

About N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65171768) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID65171768
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3/c1-12-18-9-14(10-19-16(2,3)4)20(12)11-13-7-5-6-8-15(13)17/h5-9,19H,10-11H2,1-4H3
InChIKeyJBGLHYUXKRKCJW-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115984376
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114859912
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 105409596
2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172070
2-[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]benzonitrile
CID 122209865
2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 65172394
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
2-methyl-N-[[2-methyl-3-(3-methylsulfanylpropyl)imidazol-4-yl]methyl]propan-2-amine
CID 113474451

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 65171768) is N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1ncc(CNC(C)(C)C)n1Cc1ccccc1Br.
What is the InChIKey of N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JBGLHYUXKRKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-12-18-9-14(10-19-16(2,3)4)20(12)11-13-7-5-6-8-15(13)17/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65171768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).