[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine

C11H12ClN3 — CID 82286824

IUPAC[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-8-14-9(6-13)7-15(8)11-5-3-2-4-10(11)12/h2-5,7H,6,13H2,1H3
InChIKeyMQAHHHYHYXLFDW-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.29
Rot. Bonds2

About [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine

[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine (PubChem CID 82286824) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
PubChem CID82286824
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-8-14-9(6-13)7-15(8)11-5-3-2-4-10(11)12/h2-5,7H,6,13H2,1H3
InChIKeyMQAHHHYHYXLFDW-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine (CID 82286824) is [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine is Cc1nc(CN)cn1-c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
The InChIKey is MQAHHHYHYXLFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-14-9(6-13)7-15(8)11-5-3-2-4-10(11)12/h2-5,7H,6,13H2,1H3.
What are the key properties of [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine?
[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine has a molecular weight of 221.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 82286824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).