4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride

C17H13ClN2O2 — CID 142764666

IUPAC4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1ccc(-n2ccnc2)cc1OCc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-17(21)15-7-6-14(20-9-8-19-12-20)10-16(15)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyFGRSKUVSHIZJOQ-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.83
Rot. Bonds5

About 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride

4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride (PubChem CID 142764666) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride
PubChem CID142764666
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1ccc(-n2ccnc2)cc1OCc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-17(21)15-7-6-14(20-9-8-19-12-20)10-16(15)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyFGRSKUVSHIZJOQ-UHFFFAOYSA-N
XLogP3.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxybenzoyl chloride
CID 10999355
2-[(4-fluorophenyl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37187296
benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
CID 10474485
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
CID 154857737
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
(2S)-6-amino-N-(4-imidazol-1-ylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]hexanamide
CID 91493677
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride?
The IUPAC name of 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride (CID 142764666) is 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride?
The canonical SMILES for 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride is O=C(Cl)c1ccc(-n2ccnc2)cc1OCc1ccccc1.
What is the InChIKey of 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride?
The InChIKey is FGRSKUVSHIZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-17(21)15-7-6-14(20-9-8-19-12-20)10-16(15)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride?
4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride has a molecular weight of 312.76 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 142764666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).