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

C16H16N4 — CID 82558961

IUPAC[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C16H16N4/c17-11-13-1-3-14(4-2-13)12-20-10-9-19-16(20)15-5-7-18-8-6-15/h1-10H,11-12,17H2
InChIKeyMCVSCTFHAGSACI-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.45
Rot. Bonds4

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

[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 82558961) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID82558961
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C16H16N4/c17-11-13-1-3-14(4-2-13)12-20-10-9-19-16(20)15-5-7-18-8-6-15/h1-10H,11-12,17H2
InChIKeyMCVSCTFHAGSACI-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

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Related Compounds

[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
CID 82559230
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799

Frequently Asked Questions

What is the IUPAC name of [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine (CID 82558961) is [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2-c2ccncc2)cc1.
What is the InChIKey of [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is MCVSCTFHAGSACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-11-13-1-3-14(4-2-13)12-20-10-9-19-16(20)15-5-7-18-8-6-15/h1-10H,11-12,17H2.
What are the key properties of [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine?
[4-[(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 [4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 82558961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).