4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline

C14H13N3S — CID 43722426

IUPAC4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
SMILESc1ncc(-c2ccc(NCc3ccsc3)cc2)[nH]1
InChIInChI=1S/C14H13N3S/c1-3-13(16-7-11-5-6-18-9-11)4-2-12(1)14-8-15-10-17-14/h1-6,8-10,16H,7H2,(H,15,17)
InChIKeyXTLDUBPASVHHIL-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.75
Rot. Bonds4

About 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline

4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43722426) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID43722426
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
SMILESc1ncc(-c2ccc(NCc3ccsc3)cc2)[nH]1
InChIInChI=1S/C14H13N3S/c1-3-13(16-7-11-5-6-18-9-11)4-2-12(1)14-8-15-10-17-14/h1-6,8-10,16H,7H2,(H,15,17)
InChIKeyXTLDUBPASVHHIL-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline 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

N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 43722402
4-(1H-imidazol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43722371
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
N-[(3-bromo-4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 83232606
2-[[4-(1H-imidazol-5-yl)anilino]methyl]aniline
CID 66387858
4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132582
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
4-(1H-imidazol-5-yl)-N-pentylaniline
CID 43722360
2-bromo-6-[[4-(1H-imidazol-5-yl)anilino]methyl]phenol
CID 61391383
4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473499
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline (CID 43722426) is 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline is c1ncc(-c2ccc(NCc3ccsc3)cc2)[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is XTLDUBPASVHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-3-13(16-7-11-5-6-18-9-11)4-2-12(1)14-8-15-10-17-14/h1-6,8-10,16H,7H2,(H,15,17).
What are the key properties of 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 255.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43722426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).