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

C14H19N3 — CID 106561515

IUPACN-(4-butylphenyl)-1-methylimidazol-2-amine
SMILESCCCCc1ccc(Nc2nccn2C)cc1
InChIInChI=1S/C14H19N3/c1-3-4-5-12-6-8-13(9-7-12)16-14-15-10-11-17(14)2/h6-11H,3-5H2,1-2H3,(H,15,16)
InChIKeyVDNQHPDHTRZILW-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.51
Rot. Bonds5

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

N-(4-butylphenyl)-1-methylimidazol-2-amine (PubChem CID 106561515) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-methylimidazol-2-amine
PubChem CID106561515
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(4-butylphenyl)-1-methylimidazol-2-amine
SMILESCCCCc1ccc(Nc2nccn2C)cc1
InChIInChI=1S/C14H19N3/c1-3-4-5-12-6-8-13(9-7-12)16-14-15-10-11-17(14)2/h6-11H,3-5H2,1-2H3,(H,15,16)
InChIKeyVDNQHPDHTRZILW-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460860
1-(2-methylpropyl)-N-(4-propylphenyl)imidazol-2-amine
CID 106561544
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
CID 106556281
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79953481
5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554301
N-phenyl-1-(4-propylphenyl)imidazol-2-amine
CID 106561518
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(4-butylphenyl)-1-methylimidazol-2-amine (CID 106561515) is N-(4-butylphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(4-butylphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(4-butylphenyl)-1-methylimidazol-2-amine is CCCCc1ccc(Nc2nccn2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-methylimidazol-2-amine?
The InChIKey is VDNQHPDHTRZILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-5-12-6-8-13(9-7-12)16-14-15-10-11-17(14)2/h6-11H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(4-butylphenyl)-1-methylimidazol-2-amine?
N-(4-butylphenyl)-1-methylimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 106561515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).