[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine

C11H11Cl2N3O — CID 95474815

IUPAC[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(COc2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C11H11Cl2N3O/c12-7-1-8(13)3-10(2-7)17-6-11-15-5-9(4-14)16-11/h1-3,5H,4,6,14H2,(H,15,16)
InChIKeyHDAIIGLVNCBURO-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.75
Rot. Bonds4

About [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine

[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 95474815) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID95474815
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(COc2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C11H11Cl2N3O/c12-7-1-8(13)3-10(2-7)17-6-11-15-5-9(4-14)16-11/h1-3,5H,4,6,14H2,(H,15,16)
InChIKeyHDAIIGLVNCBURO-UHFFFAOYSA-N
XLogP2.75
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine (CID 95474815) is [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine is NCc1cnc(COc2cc(Cl)cc(Cl)c2)[nH]1.
What is the InChIKey of [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is HDAIIGLVNCBURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-7-1-8(13)3-10(2-7)17-6-11-15-5-9(4-14)16-11/h1-3,5H,4,6,14H2,(H,15,16).
What are the key properties of [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 272.13 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 95474815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).