N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline

C18H19N3 — CID 62392271

IUPACN-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
SMILESCCc1ccccc1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C18H19N3/c1-2-15-7-3-4-8-16(15)13-20-17-9-5-6-10-18(17)21-12-11-19-14-21/h3-12,14,20H,2,13H2,1H3
InChIKeyJSOQMHOUJCHEDS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.05
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline

N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline (PubChem CID 62392271) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
PubChem CID62392271
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
SMILESCCc1ccccc1CNc1ccccc1-n1ccnc1
InChIInChI=1S/C18H19N3/c1-2-15-7-3-4-8-16(15)13-20-17-9-5-6-10-18(17)21-12-11-19-14-21/h3-12,14,20H,2,13H2,1H3
InChIKeyJSOQMHOUJCHEDS-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
CID 115951077
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline (CID 62392271) is N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline is CCc1ccccc1CNc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline?
The InChIKey is JSOQMHOUJCHEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-15-7-3-4-8-16(15)13-20-17-9-5-6-10-18(17)21-12-11-19-14-21/h3-12,14,20H,2,13H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline?
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline has a molecular weight of 277.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline is sourced from PubChem (CID 62392271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).