1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine

C16H21Cl2N3 — CID 106557976

IUPAC1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3/c1-3-4-9-21-11-12(2)20-16(21)19-8-7-13-5-6-14(17)10-15(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyCXFBTIOCIRMSLY-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.95
Rot. Bonds7

About 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine

1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine (PubChem CID 106557976) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine
PubChem CID106557976
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3/c1-3-4-9-21-11-12(2)20-16(21)19-8-7-13-5-6-14(17)10-15(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyCXFBTIOCIRMSLY-UHFFFAOYSA-N
XLogP4.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571787
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
CID 106557065
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582984
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-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine (CID 106557976) is 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine?
The InChIKey is CXFBTIOCIRMSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-4-9-21-11-12(2)20-16(21)19-8-7-13-5-6-14(17)10-15(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,20).
What are the key properties of 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine?
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine has a molecular weight of 326.27 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106557976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).