N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine

C15H22N4 — CID 106562661

IUPACN-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
SMILESCCCCNc1nccn1-c1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N4/c1-4-5-10-16-15-17-11-12-19(15)14-8-6-13(7-9-14)18(2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyAEECHLUOGPQGOA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.15
Rot. Bonds6

About N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine

N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine (PubChem CID 106562661) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
PubChem CID106562661
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
SMILESCCCCNc1nccn1-c1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N4/c1-4-5-10-16-15-17-11-12-19(15)14-8-6-13(7-9-14)18(2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyAEECHLUOGPQGOA-UHFFFAOYSA-N
XLogP3.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556634
1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
CID 106557266
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-hexyl-1-propylimidazol-2-amine
CID 106573792

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine?
The IUPAC name of N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine (CID 106562661) is N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine?
The canonical SMILES for N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine is CCCCNc1nccn1-c1ccc(N(C)C)cc1.
What is the InChIKey of N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine?
The InChIKey is AEECHLUOGPQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-5-10-16-15-17-11-12-19(15)14-8-6-13(7-9-14)18(2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine?
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine is sourced from PubChem (CID 106562661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).