1-Cyclopentylimidazole

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CAS Number

71614-58-9

MDL Number

MFCD18889431

Purity

=95%

Smiles

C1CCC(C1)n2ccnc2

Chemical Information

1-Cyclopentyl-1H-imidazole

CAS Number	71614-58-9
PubChem CID	15753671
IUPAC Name	1-cyclopentylimidazole
Molecular Formula	C8H12N2
Molecular Weight	136.19
XLogP	1.2
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

C1CCC(C1)N2C=CN=C2

InChI

InChI=1S/C8H12N2/c1-2-4-8(3-1)10-6-5-9-7-10/h5-8H,1-4H2

InChIKey

MRXUDQKHRDLLHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71614-58-9

CID: 15753671

Formula: C8H12N2

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.100048391
Monoisotopic Mass	136.100048391
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
HY-N6838-01	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
HY-133623	1,1,1-Tribromoacetone