N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine

C18H18BrN3O — CID 140977223

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C18H18BrN3O/c1-22-10-9-20-18(22)21-12-15-11-16(19)7-8-17(15)23-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNIIYSIJIKPTSPC-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.37
Rot. Bonds6

About N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 140977223) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID140977223
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C18H18BrN3O/c1-22-10-9-20-18(22)21-12-15-11-16(19)7-8-17(15)23-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNIIYSIJIKPTSPC-UHFFFAOYSA-N
XLogP4.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine
CID 11668110
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridazin-3-amine;2-methylbutanoic acid
CID 174335620
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63057171
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 140977223) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine is Cn1ccnc1NCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is NIIYSIJIKPTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22-10-9-20-18(22)21-12-15-11-16(19)7-8-17(15)23-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,20,21).
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 372.27 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 140977223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).