5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine

C22H24Cl2N6 — CID 67315248

IUPAC5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(Cc2ccccc2Cl)cnc1N.Cn1c(Cc2ccccc2Cl)cnc1N
InChIInChI=1S/2C11H12ClN3/c2*1-15-9(7-14-11(15)13)6-8-4-2-3-5-10(8)12/h2*2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyRUMRERMZOHVBBA-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.49
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine

5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 67315248) has the molecular formula C22H24Cl2N6 and a molecular weight of 443.38 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID67315248
Molecular FormulaC22H24Cl2N6
Molecular Weight443.38 g/mol
Exact Mass442.14
IUPAC Name5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(Cc2ccccc2Cl)cnc1N.Cn1c(Cc2ccccc2Cl)cnc1N
InChIInChI=1S/2C11H12ClN3/c2*1-15-9(7-14-11(15)13)6-8-4-2-3-5-10(8)12/h2*2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyRUMRERMZOHVBBA-UHFFFAOYSA-N
XLogP4.49
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine (CID 67315248) is 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine is Cn1c(Cc2ccccc2Cl)cnc1N.Cn1c(Cc2ccccc2Cl)cnc1N.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is RUMRERMZOHVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12ClN3/c2*1-15-9(7-14-11(15)13)6-8-4-2-3-5-10(8)12/h2*2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 443.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 67315248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).