5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine

C16H15BrN4 — CID 644645

IUPAC5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
SMILESCn1c(-c2cccc(Br)c2)cnc1NCc1cccnc1
InChIInChI=1S/C16H15BrN4/c1-21-15(13-5-2-6-14(17)8-13)11-20-16(21)19-10-12-4-3-7-18-9-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyALJBROXDABYQCA-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.86
Rot. Bonds4

About 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine

5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine (PubChem CID 644645) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
PubChem CID644645
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
SMILESCn1c(-c2cccc(Br)c2)cnc1NCc1cccnc1
InChIInChI=1S/C16H15BrN4/c1-21-15(13-5-2-6-14(17)8-13)11-20-16(21)19-10-12-4-3-7-18-9-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyALJBROXDABYQCA-UHFFFAOYSA-N
XLogP3.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine (CID 644645) is 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine is Cn1c(-c2cccc(Br)c2)cnc1NCc1cccnc1.
What is the InChIKey of 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine?
The InChIKey is ALJBROXDABYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21-15(13-5-2-6-14(17)8-13)11-20-16(21)19-10-12-4-3-7-18-9-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine?
5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine has a molecular weight of 343.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 644645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).