N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine

C15H20BrN3 — CID 62221302

IUPACN-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nccn1Cc1ccccc1Br
InChIInChI=1S/C15H20BrN3/c1-15(2,3)18-10-14-17-8-9-19(14)11-12-6-4-5-7-13(12)16/h4-9,18H,10-11H2,1-3H3
InChIKeyZKJOGTAJHRMKFE-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.58
Rot. Bonds4

About N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62221302) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62221302
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nccn1Cc1ccccc1Br
InChIInChI=1S/C15H20BrN3/c1-15(2,3)18-10-14-17-8-9-19(14)11-12-6-4-5-7-13(12)16/h4-9,18H,10-11H2,1-3H3
InChIKeyZKJOGTAJHRMKFE-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65171768
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62221302) is N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nccn1Cc1ccccc1Br.
What is the InChIKey of N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZKJOGTAJHRMKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(2,3)18-10-14-17-8-9-19(14)11-12-6-4-5-7-13(12)16/h4-9,18H,10-11H2,1-3H3.
What are the key properties of N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62221302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).