1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine

C15H15BrN4 — CID 79514398

IUPAC1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine
SMILESCC1(c2ccncc2)CN=C(N)N1c1ccccc1Br
InChIInChI=1S/C15H15BrN4/c1-15(11-6-8-18-9-7-11)10-19-14(17)20(15)13-5-3-2-4-12(13)16/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyICQRQWHEYNMDGC-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.89
Rot. Bonds2

About 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine

1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine (PubChem CID 79514398) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine
PubChem CID79514398
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine
SMILESCC1(c2ccncc2)CN=C(N)N1c1ccccc1Br
InChIInChI=1S/C15H15BrN4/c1-15(11-6-8-18-9-7-11)10-19-14(17)20(15)13-5-3-2-4-12(13)16/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyICQRQWHEYNMDGC-UHFFFAOYSA-N
XLogP2.89
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine (CID 79514398) is 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine is CC1(c2ccncc2)CN=C(N)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine?
The InChIKey is ICQRQWHEYNMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-15(11-6-8-18-9-7-11)10-19-14(17)20(15)13-5-3-2-4-12(13)16/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine?
1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine has a molecular weight of 331.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79514398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).