1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine

C14H18ClN3 — CID 66159923

IUPAC1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
SMILESCCCn1ccnc1-c1ccc(Cl)cc1CNC
InChIInChI=1S/C14H18ClN3/c1-3-7-18-8-6-17-14(18)13-5-4-12(15)9-11(13)10-16-2/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyUEJOWDVCZNDBJL-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.33
Rot. Bonds5

About 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine (PubChem CID 66159923) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
PubChem CID66159923
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
SMILESCCCn1ccnc1-c1ccc(Cl)cc1CNC
InChIInChI=1S/C14H18ClN3/c1-3-7-18-8-6-17-14(18)13-5-4-12(15)9-11(13)10-16-2/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyUEJOWDVCZNDBJL-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine 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 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine (CID 66159923) is 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine is CCCn1ccnc1-c1ccc(Cl)cc1CNC.
What is the InChIKey of 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is UEJOWDVCZNDBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-7-18-8-6-17-14(18)13-5-4-12(15)9-11(13)10-16-2/h4-6,8-9,16H,3,7,10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66159923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).