5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

C16H15BrN4 — CID 71975713

IUPAC5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESBrc1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1
InChIInChI=1S/C16H15BrN4/c17-15-5-6-16(20-10-15)19-9-13-1-3-14(4-2-13)11-21-8-7-18-12-21/h1-8,10,12H,9,11H2,(H,19,20)
InChIKeyPFWOAEBWEFDHEI-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.70
Rot. Bonds5

About 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 71975713) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID71975713
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESBrc1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1
InChIInChI=1S/C16H15BrN4/c17-15-5-6-16(20-10-15)19-9-13-1-3-14(4-2-13)11-21-8-7-18-12-21/h1-8,10,12H,9,11H2,(H,19,20)
InChIKeyPFWOAEBWEFDHEI-UHFFFAOYSA-N
XLogP3.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (CID 71975713) is 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is Brc1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1.
What is the InChIKey of 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is PFWOAEBWEFDHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-15-5-6-16(20-10-15)19-9-13-1-3-14(4-2-13)11-21-8-7-18-12-21/h1-8,10,12H,9,11H2,(H,19,20).
What are the key properties of 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 343.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 71975713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).