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Clemizole hydrochloride

CAT: 0926-FC64983-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FC64983-01Size:50 mg
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CAS Number
1163-36-6
MDL Number
MFCD00051435
Smiles
C1CCN (C1) CC2=NC3=CC=CC=C3N2CC4=CC=C (C=C4) Cl.Cl
Molecular Formula
C19H20ClN3·HCl
Controlled
Yes

Chemical Information

Clemizole Hydrochloride

Clemizole hydrochloride is a member of benzimidazoles.

CAS Number1163-36-6
PubChem CID5309446
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
Molecular FormulaC19H21Cl2N3
Molecular Weight362.3
Topological Polar Surface Area21.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity377
SMILES
C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl
InChI
InChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H
InChIKey
DNFMJYXRIMLMBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clemizole Hydrochloride
CAS: 1163-36-6
CID: 5309446
Formula: C19H21Cl2N3
MW: 362.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass361.1112531
Monoisotopic Mass361.1112531
Topological Polar Surface Area21.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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