2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride

C6H16ClN5 — CID 19706091

IUPAC2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride
SMILESCC1=[N+](C)CCN1.[Cl-].[H]N=C(N)N
InChIInChI=1S/C5H10N2.CH5N3.ClH/c1-5-6-3-4-7(5)2;2-1(3)4;/h3-4H2,1-2H3;(H5,2,3,4);1H
InChIKeyGPOZUDMXYGMICF-UHFFFAOYSA-N
MW193.68 g/mol
LogP-4.51
Rot. Bonds

About 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride

2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride (PubChem CID 19706091) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride.

Molecular Properties

Compound Name2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride
PubChem CID19706091
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride
SMILESCC1=[N+](C)CCN1.[Cl-].[H]N=C(N)N
InChIInChI=1S/C5H10N2.CH5N3.ClH/c1-5-6-3-4-7(5)2;2-1(3)4;/h3-4H2,1-2H3;(H5,2,3,4);1H
InChIKeyGPOZUDMXYGMICF-UHFFFAOYSA-N
XLogP-4.51
TPSA90.93 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-4.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride?
The IUPAC name of 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride (CID 19706091) is 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride.
What is the SMILES notation for 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride?
The canonical SMILES for 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride is CC1=[N+](C)CCN1.[Cl-].[H]N=C(N)N.
What is the InChIKey of 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride?
The InChIKey is GPOZUDMXYGMICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.CH5N3.ClH/c1-5-6-3-4-7(5)2;2-1(3)4;/h3-4H2,1-2H3;(H5,2,3,4);1H.
What are the key properties of 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride?
2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride has a molecular weight of 193.68 g/mol, XLogP of -4.51, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium;guanidine;chloride is sourced from PubChem (CID 19706091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).