5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine

C12H14ClN3 — CID 23064496

IUPAC5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine
SMILESCN(C)c1nc(-c2ccccc2)n(C)c1Cl
InChIInChI=1S/C12H14ClN3/c1-15(2)12-10(13)16(3)11(14-12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyVIBOOYVBHDULLV-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine

5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine (PubChem CID 23064496) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine
PubChem CID23064496
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine
SMILESCN(C)c1nc(-c2ccccc2)n(C)c1Cl
InChIInChI=1S/C12H14ClN3/c1-15(2)12-10(13)16(3)11(14-12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyVIBOOYVBHDULLV-UHFFFAOYSA-N
XLogP2.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-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-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine?
The IUPAC name of 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine (CID 23064496) is 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine.
What is the SMILES notation for 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine?
The canonical SMILES for 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine is CN(C)c1nc(-c2ccccc2)n(C)c1Cl.
What is the InChIKey of 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine?
The InChIKey is VIBOOYVBHDULLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-15(2)12-10(13)16(3)11(14-12)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine?
5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine has a molecular weight of 235.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N,1-trimethyl-2-phenylimidazol-4-amine is sourced from PubChem (CID 23064496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).