ZLN005

CAT: 1596-AR-Z01365-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01365-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

49671-76-3

Synonyms

2- (4- (tert-butyl) phenyl) -1H-benzo[d]imidazole

Molecular Formula

C17H18N2

Molecular Weight

250.35

API Name

ZLN005

Chemical Information

Zln005

structure in first source

CAS Number	49671-76-3
PubChem CID	899323
IUPAC Name	2-(4-tert-butylphenyl)-1H-benzimidazole
Molecular Formula	C17H18N2
Molecular Weight	250.34
XLogP	4.9
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	299

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)

InChIKey

LQUNNCQSFFKSSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49671-76-3

CID: 899323

Formula: C17H18N2

MW: 250.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.34
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	250.146998583
Monoisotopic Mass	250.146998583
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	299
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