1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol

C13H15ClN4O2 — CID 143593622

IUPAC1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol
SMILESCOc1ccc(/N=N/c2nccn2CC(O)CCl)cc1
InChIInChI=1S/C13H15ClN4O2/c1-20-12-4-2-10(3-5-12)16-17-13-15-6-7-18(13)9-11(19)8-14/h2-7,11,19H,8-9H2,1H3/b17-16+
InChIKeyXRXDDQJSPWNDHX-WUKNDPDISA-N
MW294.74 g/mol
LogP2.91
Rot. Bonds6

About 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol

1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol (PubChem CID 143593622) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol
PubChem CID143593622
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol
SMILESCOc1ccc(/N=N/c2nccn2CC(O)CCl)cc1
InChIInChI=1S/C13H15ClN4O2/c1-20-12-4-2-10(3-5-12)16-17-13-15-6-7-18(13)9-11(19)8-14/h2-7,11,19H,8-9H2,1H3/b17-16+
InChIKeyXRXDDQJSPWNDHX-WUKNDPDISA-N
XLogP2.91
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol (CID 143593622) is 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol is COc1ccc(/N=N/c2nccn2CC(O)CCl)cc1.
What is the InChIKey of 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol?
The InChIKey is XRXDDQJSPWNDHX-WUKNDPDISA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-20-12-4-2-10(3-5-12)16-17-13-15-6-7-18(13)9-11(19)8-14/h2-7,11,19H,8-9H2,1H3/b17-16+.
What are the key properties of 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol?
1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol has a molecular weight of 294.74 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[(4-methoxyphenyl)diazenyl]imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 143593622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).