N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H18BrN3O — CID 106560515

IUPACN-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NCc1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11-10-18(7-8-19-2)14(17-11)16-9-12-3-5-13(15)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyNLIOWXAYMGVCFN-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106560515) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106560515
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NCc1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11-10-18(7-8-19-2)14(17-11)16-9-12-3-5-13(15)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyNLIOWXAYMGVCFN-UHFFFAOYSA-N
XLogP3.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106560515) is N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is NLIOWXAYMGVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11-10-18(7-8-19-2)14(17-11)16-9-12-3-5-13(15)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 324.22 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106560515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).