2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde

C16H11ClN2O — CID 142648580

IUPAC2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)ccc2-c2ccccc2)[nH]1
InChIInChI=1S/C16H11ClN2O/c17-12-6-7-14(11-4-2-1-3-5-11)15(8-12)16-18-9-13(10-20)19-16/h1-10H,(H,18,19)
InChIKeyIIPVLMJOEIUVGG-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.21
Rot. Bonds3

About 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde

2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde (PubChem CID 142648580) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde
PubChem CID142648580
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(Cl)ccc2-c2ccccc2)[nH]1
InChIInChI=1S/C16H11ClN2O/c17-12-6-7-14(11-4-2-1-3-5-11)15(8-12)16-18-9-13(10-20)19-16/h1-10H,(H,18,19)
InChIKeyIIPVLMJOEIUVGG-UHFFFAOYSA-N
XLogP4.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4,5-difluorophenyl)-1H-imidazole-5-carbaldehyde
CID 87406077
2-(4-chloro-3-fluorophenyl)-1H-imidazole-5-carbaldehyde
CID 82391783
2-(3-chloro-4-pyridinyl)-1H-imidazole-5-carbaldehyde
CID 130933965
2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 80502436
N-methyl-1-(2-phenyl-1H-imidazol-5-yl)methanamine;2-phenyl-1H-imidazole-5-carbaldehyde;dihydrochloride
CID 158284704
(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine
CID 135445586
2-(1H-pyrrol-2-yl)-1H-imidazole-5-carbaldehyde
CID 87405990
2-(4-tert-butylphenyl)-1H-imidazole-5-carbaldehyde
CID 82288230
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole
CID 57315459
5-chloro-4-phenylpyridin-2-amine
CID 53485508

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde (CID 142648580) is 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde is O=Cc1cnc(-c2cc(Cl)ccc2-c2ccccc2)[nH]1.
What is the InChIKey of 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is IIPVLMJOEIUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-12-6-7-14(11-4-2-1-3-5-11)15(8-12)16-18-9-13(10-20)19-16/h1-10H,(H,18,19).
What are the key properties of 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde?
2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 282.73 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 142648580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).