1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine

C15H20ClN3 — CID 106576255

IUPAC1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1c(C)cccc1Cl
InChIInChI=1S/C15H20ClN3/c1-4-5-9-19-10-12(3)17-15(19)18-14-11(2)7-6-8-13(14)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyYSBBOBSVJKTKBQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.70
Rot. Bonds5

About 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine

1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106576255) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106576255
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1c(C)cccc1Cl
InChIInChI=1S/C15H20ClN3/c1-4-5-9-19-10-12(3)17-15(19)18-14-11(2)7-6-8-13(14)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyYSBBOBSVJKTKBQ-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

Analyze 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine (CID 106576255) is 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1c(C)cccc1Cl.
What is the InChIKey of 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is YSBBOBSVJKTKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-5-9-19-10-12(3)17-15(19)18-14-11(2)7-6-8-13(14)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(2-chloro-6-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-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106576255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).