1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine

C14H17Cl2N3 — CID 106560288

IUPAC1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N3/c1-3-4-8-19-9-10(2)17-14(19)18-12-7-5-6-11(15)13(12)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyOXBVLTQMBZVSTK-UHFFFAOYSA-N
MW298.22 g/mol
LogP5.04
Rot. Bonds5

About 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine

1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine (PubChem CID 106560288) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
PubChem CID106560288
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N3/c1-3-4-8-19-9-10(2)17-14(19)18-12-7-5-6-11(15)13(12)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyOXBVLTQMBZVSTK-UHFFFAOYSA-N
XLogP5.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.22
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556158
1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106556095
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106560763
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine (CID 106560288) is 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine?
The InChIKey is OXBVLTQMBZVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-4-8-19-9-10(2)17-14(19)18-12-7-5-6-11(15)13(12)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine?
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine has a molecular weight of 298.22 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106560288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).