N-(2-ethylbutyl)-2-imidazol-1-ylaniline

C15H21N3 — CID 43673499

IUPACN-(2-ethylbutyl)-2-imidazol-1-ylaniline
SMILESCCC(CC)CNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H21N3/c1-3-13(4-2)11-17-14-7-5-6-8-15(14)18-10-9-16-12-18/h5-10,12-13,17H,3-4,11H2,1-2H3
InChIKeyPFWJURJCMUSHML-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds6

About N-(2-ethylbutyl)-2-imidazol-1-ylaniline

N-(2-ethylbutyl)-2-imidazol-1-ylaniline (PubChem CID 43673499) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-imidazol-1-ylaniline
PubChem CID43673499
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2-ethylbutyl)-2-imidazol-1-ylaniline
SMILESCCC(CC)CNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H21N3/c1-3-13(4-2)11-17-14-7-5-6-8-15(14)18-10-9-16-12-18/h5-10,12-13,17H,3-4,11H2,1-2H3
InChIKeyPFWJURJCMUSHML-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
2-(2-imidazol-1-ylanilino)butanoic acid
CID 115352432
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-imidazol-1-ylaniline?
The IUPAC name of N-(2-ethylbutyl)-2-imidazol-1-ylaniline (CID 43673499) is N-(2-ethylbutyl)-2-imidazol-1-ylaniline.
What is the SMILES notation for N-(2-ethylbutyl)-2-imidazol-1-ylaniline?
The canonical SMILES for N-(2-ethylbutyl)-2-imidazol-1-ylaniline is CCC(CC)CNc1ccccc1-n1ccnc1.
What is the InChIKey of N-(2-ethylbutyl)-2-imidazol-1-ylaniline?
The InChIKey is PFWJURJCMUSHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-13(4-2)11-17-14-7-5-6-8-15(14)18-10-9-16-12-18/h5-10,12-13,17H,3-4,11H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2-imidazol-1-ylaniline?
N-(2-ethylbutyl)-2-imidazol-1-ylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).