N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine

C18H24N6 — CID 70741257

IUPACN,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine
SMILESCc1cn(CCn2ccnc2-c2cccc(C(C)N(C)C)c2)nn1
InChIInChI=1S/C18H24N6/c1-14-13-24(21-20-14)11-10-23-9-8-19-18(23)17-7-5-6-16(12-17)15(2)22(3)4/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyMXLYQGFHFFMNCR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.77
Rot. Bonds6

About N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine

N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine (PubChem CID 70741257) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine
PubChem CID70741257
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine
SMILESCc1cn(CCn2ccnc2-c2cccc(C(C)N(C)C)c2)nn1
InChIInChI=1S/C18H24N6/c1-14-13-24(21-20-14)11-10-23-9-8-19-18(23)17-7-5-6-16(12-17)15(2)22(3)4/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyMXLYQGFHFFMNCR-UHFFFAOYSA-N
XLogP2.77
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine 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 N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine (CID 70741257) is N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine is Cc1cn(CCn2ccnc2-c2cccc(C(C)N(C)C)c2)nn1.
What is the InChIKey of N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine?
The InChIKey is MXLYQGFHFFMNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-14-13-24(21-20-14)11-10-23-9-8-19-18(23)17-7-5-6-16(12-17)15(2)22(3)4/h5-9,12-13,15H,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine?
N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine has a molecular weight of 324.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]ethanamine is sourced from PubChem (CID 70741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).