2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde

C10H5ClF2N2O — CID 87406077

IUPAC2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)c(F)cc2Cl)[nH]1
InChIInChI=1S/C10H5ClF2N2O/c11-7-2-9(13)8(12)1-6(7)10-14-3-5(4-16)15-10/h1-4H,(H,14,15)
InChIKeyPPWQGWSZUKNQOQ-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.82
Rot. Bonds2

About 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde

2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde (PubChem CID 87406077) has the molecular formula C10H5ClF2N2O and a molecular weight of 242.61 g/mol. Its IUPAC name is 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde
PubChem CID87406077
Molecular FormulaC10H5ClF2N2O
Molecular Weight242.61 g/mol
Exact Mass242.01
IUPAC Name2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)c(F)cc2Cl)[nH]1
InChIInChI=1S/C10H5ClF2N2O/c11-7-2-9(13)8(12)1-6(7)10-14-3-5(4-16)15-10/h1-4H,(H,14,15)
InChIKeyPPWQGWSZUKNQOQ-UHFFFAOYSA-N
XLogP2.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde (CID 87406077) is 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde is O=Cc1cnc(-c2cc(F)c(F)cc2Cl)[nH]1.
What is the InChIKey of 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is PPWQGWSZUKNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O/c11-7-2-9(13)8(12)1-6(7)10-14-3-5(4-16)15-10/h1-4H,(H,14,15).
What are the key properties of 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde?
2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 242.61 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 87406077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).