2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C16H16N4O — CID 103347464

IUPAC2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccccc2-n2ccnc2)n1
InChIInChI=1S/C16H16N4O/c1-21-16-8-4-5-13(19-16)11-18-14-6-2-3-7-15(14)20-10-9-17-12-20/h2-10,12,18H,11H2,1H3
InChIKeyQRMULERRLYTQCW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds5

About 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline

2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 103347464) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID103347464
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccccc2-n2ccnc2)n1
InChIInChI=1S/C16H16N4O/c1-21-16-8-4-5-13(19-16)11-18-14-6-2-3-7-15(14)20-10-9-17-12-20/h2-10,12,18H,11H2,1H3
InChIKeyQRMULERRLYTQCW-UHFFFAOYSA-N
XLogP2.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
CID 115951077
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
1-[2-[(6-methoxy-2-pyridinyl)methylamino]phenyl]ethanol
CID 103347703
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 103347464) is 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2ccccc2-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is QRMULERRLYTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-16-8-4-5-13(19-16)11-18-14-6-2-3-7-15(14)20-10-9-17-12-20/h2-10,12,18H,11H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline has a molecular weight of 280.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 103347464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).