[4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride

C10H13Cl2N3 — CID 138041009

IUPAC[4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C10H11N3.2ClH/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10;;/h1-6H,7,11H2,(H,12,13);2*1H
InChIKeyALNQVYTXAGNNRS-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.38
Rot. Bonds2

About [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride

[4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride (PubChem CID 138041009) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride
PubChem CID138041009
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name[4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C10H11N3.2ClH/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10;;/h1-6H,7,11H2,(H,12,13);2*1H
InChIKeyALNQVYTXAGNNRS-UHFFFAOYSA-N
XLogP2.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride (CID 138041009) is [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is ALNQVYTXAGNNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.2ClH/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10;;/h1-6H,7,11H2,(H,12,13);2*1H.
What are the key properties of [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride?
[4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 246.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 138041009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).