[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide

C17H17BrClN3 — CID 21439103

IUPAC[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide
SMILESBr.Cc1nccn1-c1ccc(Cl)cc1C(N)c1ccccc1
InChIInChI=1S/C17H16ClN3.BrH/c1-12-20-9-10-21(12)16-8-7-14(18)11-15(16)17(19)13-5-3-2-4-6-13;/h2-11,17H,19H2,1H3;1H
InChIKeySIYPUNPMWGFRRE-UHFFFAOYSA-N
MW378.70 g/mol
LogP4.46
Rot. Bonds3

About [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide

[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide (PubChem CID 21439103) has the molecular formula C17H17BrClN3 and a molecular weight of 378.70 g/mol. Its IUPAC name is [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide.

Molecular Properties

Compound Name[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide
PubChem CID21439103
Molecular FormulaC17H17BrClN3
Molecular Weight378.70 g/mol
Exact Mass377.03
IUPAC Name[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide
SMILESBr.Cc1nccn1-c1ccc(Cl)cc1C(N)c1ccccc1
InChIInChI=1S/C17H16ClN3.BrH/c1-12-20-9-10-21(12)16-8-7-14(18)11-15(16)17(19)13-5-3-2-4-6-13;/h2-11,17H,19H2,1H3;1H
InChIKeySIYPUNPMWGFRRE-UHFFFAOYSA-N
XLogP4.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide?
The IUPAC name of [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide (CID 21439103) is [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide.
What is the SMILES notation for [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide?
The canonical SMILES for [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide is Br.Cc1nccn1-c1ccc(Cl)cc1C(N)c1ccccc1.
What is the InChIKey of [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide?
The InChIKey is SIYPUNPMWGFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3.BrH/c1-12-20-9-10-21(12)16-8-7-14(18)11-15(16)17(19)13-5-3-2-4-6-13;/h2-11,17H,19H2,1H3;1H.
What are the key properties of [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide?
[5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide has a molecular weight of 378.70 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methylimidazol-1-yl)phenyl]-phenylmethanamine;hydrobromide is sourced from PubChem (CID 21439103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).