4-Phenylimidazole

CAT: 0024-sc-238945Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238945Size:5 g

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CAS Number

670-95-1

Chemical Information

4-Phenylimidazole

tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist

CAS Number	670-95-1
PubChem CID	69590
IUPAC Name	5-phenyl-1H-imidazole
Molecular Formula	C9H8N2
Molecular Weight	144.17
XLogP	1.7
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

C1=CC=C(C=C1)C2=CN=CN2

InChI

InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)

InChIKey

XHLKOHSAWQPOFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 670-95-1

CID: 69590

Formula: C9H8N2

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	144.068748264
Monoisotopic Mass	144.068748264
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-232859	4-Methyl-2-phenylimidazole
sc-238200	2-Phenylimidazole
sc-253947	1-Phenylimidazole
sc-486203	1- (2-Cyanoethyl) -2-phenylimidazole
sc-304863	2- (2-Phenylimidazole-1-carbonyl) benzoic acid
sc-208996E	2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
sc-208996B	2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
sc-351567A	8- (aminocarbonyl) -2-phenylimidazo[1,5-a]pyrimidine-4-carboxylic acid
sc-208996D	2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
sc-208995	2-Amino-1- (trideuteromethyl) -6-Phenylimidazo[4,5-b] pyridine