2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline

C17H17N3O — CID 43673464

IUPAC2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C17H17N3O/c1-21-15-8-6-14(7-9-15)12-19-16-4-2-3-5-17(16)20-11-10-18-13-20/h2-11,13,19H,12H2,1H3
InChIKeyCKCWZKJXHSVLKK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.49
Rot. Bonds5

About 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 43673464) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID43673464
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C17H17N3O/c1-21-15-8-6-14(7-9-15)12-19-16-4-2-3-5-17(16)20-11-10-18-13-20/h2-11,13,19H,12H2,1H3
InChIKeyCKCWZKJXHSVLKK-UHFFFAOYSA-N
XLogP3.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 118867936
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline (CID 43673464) is 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccccc2-n2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is CKCWZKJXHSVLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-15-8-6-14(7-9-15)12-19-16-4-2-3-5-17(16)20-11-10-18-13-20/h2-11,13,19H,12H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline?
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 279.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).