5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine

C15H16ClN3S — CID 79521313

IUPAC5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2cccc(Cl)c2)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C15H16ClN3S/c1-15(11-4-2-5-12(16)8-11)10-18-14(17)19(15)9-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H2,17,18)
InChIKeyNYEMVGHWDLHUPT-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.45
Rot. Bonds3

About 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine

5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79521313) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79521313
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2cccc(Cl)c2)CN=C(N)N1Cc1cccs1
InChIInChI=1S/C15H16ClN3S/c1-15(11-4-2-5-12(16)8-11)10-18-14(17)19(15)9-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H2,17,18)
InChIKeyNYEMVGHWDLHUPT-UHFFFAOYSA-N
XLogP3.45
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-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

Related Compounds

5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol
CID 107707886
5,5-dimethyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79521396
5-(2,4-dimethylphenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 79500819
5-[(3-fluorophenyl)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine
CID 114835173
5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79521836
7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520782
5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine
CID 79498841
3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol
CID 79505004
5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498038
7-methoxy-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874991
5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498707
9-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501015

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine (CID 79521313) is 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is CC1(c2cccc(Cl)c2)CN=C(N)N1Cc1cccs1.
What is the InChIKey of 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is NYEMVGHWDLHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-15(11-4-2-5-12(16)8-11)10-18-14(17)19(15)9-13-6-3-7-20-13/h2-8H,9-10H2,1H3,(H2,17,18).
What are the key properties of 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine?
5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 305.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79521313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).