[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine

C11H12ClN3 — CID 62945208

IUPAC[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
SMILESCc1nccn1-c1ccc(CN)c(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8-14-4-5-15(8)10-3-2-9(7-13)11(12)6-10/h2-6H,7,13H2,1H3
InChIKeyQUBXGNHFCAWHAU-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.29
Rot. Bonds2

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

[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine (PubChem CID 62945208) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
PubChem CID62945208
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
SMILESCc1nccn1-c1ccc(CN)c(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8-14-4-5-15(8)10-3-2-9(7-13)11(12)6-10/h2-6H,7,13H2,1H3
InChIKeyQUBXGNHFCAWHAU-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 [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine (CID 62945208) is [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine is Cc1nccn1-c1ccc(CN)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine?
The InChIKey is QUBXGNHFCAWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-14-4-5-15(8)10-3-2-9(7-13)11(12)6-10/h2-6H,7,13H2,1H3.
What are the key properties of [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine?
[2-chloro-4-(2-methylimidazol-1-yl)phenyl]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 [2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 62945208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).