N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C12H16BrN3 — CID 122098500

IUPACN-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cc(CNC2=NCC(C)N2)ccc1Br
InChIInChI=1S/C12H16BrN3/c1-8-5-10(3-4-11(8)13)7-15-12-14-6-9(2)16-12/h3-5,9H,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyCMFWHDMSRNVZJY-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.19
Rot. Bonds2

About N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 122098500) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID122098500
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cc(CNC2=NCC(C)N2)ccc1Br
InChIInChI=1S/C12H16BrN3/c1-8-5-10(3-4-11(8)13)7-15-12-14-6-9(2)16-12/h3-5,9H,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyCMFWHDMSRNVZJY-UHFFFAOYSA-N
XLogP2.19
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 122098500) is N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is Cc1cc(CNC2=NCC(C)N2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CMFWHDMSRNVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-8-5-10(3-4-11(8)13)7-15-12-14-6-9(2)16-12/h3-5,9H,6-7H2,1-2H3,(H2,14,15,16).
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 282.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 122098500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).