N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine

C14H18BrN3 — CID 106569127

IUPACN-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-11(2)10-18-7-6-16-14(18)17-9-12-4-3-5-13(15)8-12/h3-8,11H,9-10H2,1-2H3,(H,16,17)
InChIKeyNGBDXAGMWGTDQV-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.91
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine

N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106569127) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106569127
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-11(2)10-18-7-6-16-14(18)17-9-12-4-3-5-13(15)8-12/h3-8,11H,9-10H2,1-2H3,(H,16,17)
InChIKeyNGBDXAGMWGTDQV-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 100663003
N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106570314
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
1-(2-methylpropyl)-N-[(2-morpholin-4-ylphenyl)methyl]imidazol-2-amine
CID 100662984
N-[(3-methoxyphenyl)methyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106563494
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine (CID 106569127) is N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is NGBDXAGMWGTDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-11(2)10-18-7-6-16-14(18)17-9-12-4-3-5-13(15)8-12/h3-8,11H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 308.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106569127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).