3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline

C15H14N4 — CID 43678338

IUPAC3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(NCc2ccncc2)cc(-n2ccnc2)c1
InChIInChI=1S/C15H14N4/c1-2-14(18-11-13-4-6-16-7-5-13)10-15(3-1)19-9-8-17-12-19/h1-10,12,18H,11H2
InChIKeyITHAKIGBDUEYCL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.88
Rot. Bonds4

About 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline

3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 43678338) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
PubChem CID43678338
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(NCc2ccncc2)cc(-n2ccnc2)c1
InChIInChI=1S/C15H14N4/c1-2-14(18-11-13-4-6-16-7-5-13)10-15(3-1)19-9-8-17-12-19/h1-10,12,18H,11H2
InChIKeyITHAKIGBDUEYCL-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 166178950
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline (CID 43678338) is 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline is c1cc(NCc2ccncc2)cc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is ITHAKIGBDUEYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-14(18-11-13-4-6-16-7-5-13)10-15(3-1)19-9-8-17-12-19/h1-10,12,18H,11H2.
What are the key properties of 3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline?
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 250.31 g/mol, XLogP of 2.88, 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-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 43678338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).