3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline

C16H16N4 — CID 104756648

IUPAC3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2cccc(-n3ccnc3)c2)cn1
InChIInChI=1S/C16H16N4/c1-13-5-6-14(10-18-13)11-19-15-3-2-4-16(9-15)20-8-7-17-12-20/h2-10,12,19H,11H2,1H3
InChIKeyPYDZUUJBHPYUPR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.19
Rot. Bonds4

About 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline

3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104756648) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104756648
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2cccc(-n3ccnc3)c2)cn1
InChIInChI=1S/C16H16N4/c1-13-5-6-14(10-18-13)11-19-15-3-2-4-16(9-15)20-8-7-17-12-20/h2-10,12,19H,11H2,1H3
InChIKeyPYDZUUJBHPYUPR-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]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

3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 166178950
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
CID 104756598
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104756648) is 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2cccc(-n3ccnc3)c2)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is PYDZUUJBHPYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-13-5-6-14(10-18-13)11-19-15-3-2-4-16(9-15)20-8-7-17-12-20/h2-10,12,19H,11H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 264.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104756648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).