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

C15H20ClN3 — CID 106560600

IUPAC1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3/c1-4-5-8-19-10-12(3)17-15(19)18-14-9-13(16)7-6-11(14)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyNJWKKJVQVQBVOF-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.70
Rot. Bonds5

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

1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106560600) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106560600
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H20ClN3/c1-4-5-8-19-10-12(3)17-15(19)18-14-9-13(16)7-6-11(14)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyNJWKKJVQVQBVOF-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106556095
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106557976
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556158

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine (CID 106560600) is 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1cc(Cl)ccc1C.
What is the InChIKey of 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is NJWKKJVQVQBVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-5-8-19-10-12(3)17-15(19)18-14-9-13(16)7-6-11(14)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106560600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).