N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide

C18H30N4 — CID 139093656

IUPACN,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide
SMILESCc1ncn(/C(=N\C2CCCCC2)NC2CCCCC2)c1C
InChIInChI=1S/C18H30N4/c1-14-15(2)22(13-19-14)18(20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h13,16-17H,3-12H2,1-2H3,(H,20,21)
InChIKeyDFHOWCIMRULMOV-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.96
Rot. Bonds2

About N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide

N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide (PubChem CID 139093656) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide
PubChem CID139093656
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide
SMILESCc1ncn(/C(=N\C2CCCCC2)NC2CCCCC2)c1C
InChIInChI=1S/C18H30N4/c1-14-15(2)22(13-19-14)18(20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h13,16-17H,3-12H2,1-2H3,(H,20,21)
InChIKeyDFHOWCIMRULMOV-UHFFFAOYSA-N
XLogP3.96
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide (CID 139093656) is N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide is Cc1ncn(/C(=N\C2CCCCC2)NC2CCCCC2)c1C.
What is the InChIKey of N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide?
The InChIKey is DFHOWCIMRULMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-14-15(2)22(13-19-14)18(20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h13,16-17H,3-12H2,1-2H3,(H,20,21).
What are the key properties of N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide?
N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide has a molecular weight of 302.47 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide is sourced from PubChem (CID 139093656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).