[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine

C16H16N4 — CID 82558960

IUPAC[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2ccnc2-c2ccncc2)c1
InChIInChI=1S/C16H16N4/c17-11-13-2-1-3-14(10-13)12-20-9-8-19-16(20)15-4-6-18-7-5-15/h1-10H,11-12,17H2
InChIKeyUPYVNQPWZGNJTB-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.45
Rot. Bonds4

About [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine

[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 82558960) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID82558960
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2ccnc2-c2ccncc2)c1
InChIInChI=1S/C16H16N4/c17-11-13-2-1-3-14(10-13)12-20-9-8-19-16(20)15-4-6-18-7-5-15/h1-10H,11-12,17H2
InChIKeyUPYVNQPWZGNJTB-UHFFFAOYSA-N
XLogP2.45
TPSA56.73 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine 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-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
[3-[[2-(2,6-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559535
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786

Frequently Asked Questions

What is the IUPAC name of [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine (CID 82558960) is [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine is NCc1cccc(Cn2ccnc2-c2ccncc2)c1.
What is the InChIKey of [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is UPYVNQPWZGNJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-11-13-2-1-3-14(10-13)12-20-9-8-19-16(20)15-4-6-18-7-5-15/h1-10H,11-12,17H2.
What are the key properties of [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 82558960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).