1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine

C24H43N7 — CID 122232058

IUPAC1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine
SMILESCN=C(N=c1n(C(C)C)c(C)c(C)n1C(C)C)N=c1n(C(C)C)c(C)c(C)n1C(C)C
InChIInChI=1S/C24H43N7/c1-14(2)28-18(9)19(10)29(15(3)4)23(28)26-22(25-13)27-24-30(16(5)6)20(11)21(12)31(24)17(7)8/h14-17H,1-13H3
InChIKeyIYXCZJZDWLMJBF-UHFFFAOYSA-N
MW429.66 g/mol
LogP4.94
Rot. Bonds4

About 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine

1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine (PubChem CID 122232058) has the molecular formula C24H43N7 and a molecular weight of 429.66 g/mol. Its IUPAC name is 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine.

Molecular Properties

Compound Name1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine
PubChem CID122232058
Molecular FormulaC24H43N7
Molecular Weight429.66 g/mol
Exact Mass429.36
IUPAC Name1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine
SMILESCN=C(N=c1n(C(C)C)c(C)c(C)n1C(C)C)N=c1n(C(C)C)c(C)c(C)n1C(C)C
InChIInChI=1S/C24H43N7/c1-14(2)28-18(9)19(10)29(15(3)4)23(28)26-22(25-13)27-24-30(16(5)6)20(11)21(12)31(24)17(7)8/h14-17H,1-13H3
InChIKeyIYXCZJZDWLMJBF-UHFFFAOYSA-N
XLogP4.94
TPSA56.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.66
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine?
The IUPAC name of 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine (CID 122232058) is 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine.
What is the SMILES notation for 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine?
The canonical SMILES for 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine is CN=C(N=c1n(C(C)C)c(C)c(C)n1C(C)C)N=c1n(C(C)C)c(C)c(C)n1C(C)C.
What is the InChIKey of 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine?
The InChIKey is IYXCZJZDWLMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N7/c1-14(2)28-18(9)19(10)29(15(3)4)23(28)26-22(25-13)27-24-30(16(5)6)20(11)21(12)31(24)17(7)8/h14-17H,1-13H3.
What are the key properties of 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine?
1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine has a molecular weight of 429.66 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]-2-methylguanidine is sourced from PubChem (CID 122232058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).