3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine

C14H18ClN3 — CID 62226365

IUPAC3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C14H18ClN3/c1-3-4-9-18-10(2)17-13(14(18)16)11-7-5-6-8-12(11)15/h5-8H,3-4,9,16H2,1-2H3
InChIKeyDYQVAOCCVDXHEQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.89
Rot. Bonds4

About 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine

3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine (PubChem CID 62226365) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
PubChem CID62226365
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C14H18ClN3/c1-3-4-9-18-10(2)17-13(14(18)16)11-7-5-6-8-12(11)15/h5-8H,3-4,9,16H2,1-2H3
InChIKeyDYQVAOCCVDXHEQ-UHFFFAOYSA-N
XLogP3.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine (CID 62226365) is 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine is CCCCn1c(C)nc(-c2ccccc2Cl)c1N.
What is the InChIKey of 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine?
The InChIKey is DYQVAOCCVDXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-4-9-18-10(2)17-13(14(18)16)11-7-5-6-8-12(11)15/h5-8H,3-4,9,16H2,1-2H3.
What are the key properties of 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine?
3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine has a molecular weight of 263.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 62226365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).