2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline

C15H14N4 — CID 82558943

IUPAC2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
SMILESNc1ccccc1Cn1ccnc1-c1cccnc1
InChIInChI=1S/C15H14N4/c16-14-6-2-1-4-13(14)11-19-9-8-18-15(19)12-5-3-7-17-10-12/h1-10H,11,16H2
InChIKeyPWEJCWZDASYFSU-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.58
Rot. Bonds3

About 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline

2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline (PubChem CID 82558943) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
PubChem CID82558943
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
SMILESNc1ccccc1Cn1ccnc1-c1cccnc1
InChIInChI=1S/C15H14N4/c16-14-6-2-1-4-13(14)11-19-9-8-18-15(19)12-5-3-7-17-10-12/h1-10H,11,16H2
InChIKeyPWEJCWZDASYFSU-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzenecarbothioamide
CID 82558948
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559693
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465629
N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
CID 75454577
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255
1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411423

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline?
The IUPAC name of 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline (CID 82558943) is 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline.
What is the SMILES notation for 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline?
The canonical SMILES for 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline is Nc1ccccc1Cn1ccnc1-c1cccnc1.
What is the InChIKey of 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline?
The InChIKey is PWEJCWZDASYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-14-6-2-1-4-13(14)11-19-9-8-18-15(19)12-5-3-7-17-10-12/h1-10H,11,16H2.
What are the key properties of 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline?
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline has a molecular weight of 250.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline is sourced from PubChem (CID 82558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).