1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C16H22ClN3 — CID 106566917

IUPAC1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(C(C)c2ccccc2Cl)c(NCC(C)C)n1
InChIInChI=1S/C16H22ClN3/c1-11(2)9-18-16-19-12(3)10-20(16)13(4)14-7-5-6-8-15(14)17/h5-8,10-11,13H,9H2,1-4H3,(H,18,19)
InChIKeyFLLCYXLSNFDEHV-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.52
Rot. Bonds5

About 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106566917) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106566917
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(C(C)c2ccccc2Cl)c(NCC(C)C)n1
InChIInChI=1S/C16H22ClN3/c1-11(2)9-18-16-19-12(3)10-20(16)13(4)14-7-5-6-8-15(14)17/h5-8,10-11,13H,9H2,1-4H3,(H,18,19)
InChIKeyFLLCYXLSNFDEHV-UHFFFAOYSA-N
XLogP4.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106566917) is 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(C(C)c2ccccc2Cl)c(NCC(C)C)n1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is FLLCYXLSNFDEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11(2)9-18-16-19-12(3)10-20(16)13(4)14-7-5-6-8-15(14)17/h5-8,10-11,13H,9H2,1-4H3,(H,18,19).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 291.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106566917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).