N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine

C15H20ClN3 — CID 107628198

IUPACN-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1cc(C)ccc1Cl
InChIInChI=1S/C15H20ClN3/c1-4-5-8-17-15-18-12(3)10-19(15)14-9-11(2)6-7-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyZJFAHVSUEKPYOY-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.35
Rot. Bonds5

About N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine

N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 107628198) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
PubChem CID107628198
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1cc(C)ccc1Cl
InChIInChI=1S/C15H20ClN3/c1-4-5-8-17-15-18-12(3)10-19(15)14-9-11(2)6-7-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyZJFAHVSUEKPYOY-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106580659
1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106560885
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
CID 106558212

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine (CID 107628198) is N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1-c1cc(C)ccc1Cl.
What is the InChIKey of N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is ZJFAHVSUEKPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-5-8-17-15-18-12(3)10-19(15)14-9-11(2)6-7-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine?
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 107628198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).