3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline

C17H17N3 — CID 43678312

IUPAC3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H17N3/c1-14-5-2-3-6-15(14)12-19-16-7-4-8-17(11-16)20-10-9-18-13-20/h2-11,13,19H,12H2,1H3
InChIKeyWIKVIVPOMVZDRK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.79
Rot. Bonds4

About 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline

3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 43678312) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
PubChem CID43678312
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H17N3/c1-14-5-2-3-6-15(14)12-19-16-7-4-8-17(11-16)20-10-9-18-13-20/h2-11,13,19H,12H2,1H3
InChIKeyWIKVIVPOMVZDRK-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 166178950
2-methyl-6-[[3-(1,2,4-triazol-4-yl)anilino]methyl]phenol
CID 115904248
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline (CID 43678312) is 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CNc1cccc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is WIKVIVPOMVZDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-14-5-2-3-6-15(14)12-19-16-7-4-8-17(11-16)20-10-9-18-13-20/h2-11,13,19H,12H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline?
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 43678312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).