N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine

C16H23N3 — CID 106561516

IUPACN-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCCCc1ccc(Nc2nc(C)cn2CC)cc1
InChIInChI=1S/C16H23N3/c1-4-6-7-14-8-10-15(11-9-14)18-16-17-13(3)12-19(16)5-2/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyNRYHNZBCJOJPEN-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.30
Rot. Bonds6

About N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine

N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106561516) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106561516
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCCCc1ccc(Nc2nc(C)cn2CC)cc1
InChIInChI=1S/C16H23N3/c1-4-6-7-14-8-10-15(11-9-14)18-16-17-13(3)12-19(16)5-2/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyNRYHNZBCJOJPEN-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine
CID 106561547
N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106573029
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106576656
1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
CID 106562338
4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
CID 106571675
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
N-(4-butylphenyl)-1-methylimidazol-2-amine
CID 106561515
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106561516) is N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine is CCCCc1ccc(Nc2nc(C)cn2CC)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is NRYHNZBCJOJPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-6-7-14-8-10-15(11-9-14)18-16-17-13(3)12-19(16)5-2/h8-12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106561516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).