N,N'-di(propan-2-yl)imidazole-1-carboximidamide

C40H72N16 — CID 139093612

IUPACN,N'-di(propan-2-yl)imidazole-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1
InChIInChI=1S/4C10H18N4/c4*1-8(2)12-10(13-9(3)4)14-6-5-11-7-14/h4*5-9H,1-4H3,(H,12,13)
InChIKeyFUMWEFAJYAYITB-UHFFFAOYSA-N
MW777.13 g/mol
LogP5.97
Rot. Bonds8

About N,N'-di(propan-2-yl)imidazole-1-carboximidamide

N,N'-di(propan-2-yl)imidazole-1-carboximidamide (PubChem CID 139093612) has the molecular formula C40H72N16 and a molecular weight of 777.13 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)imidazole-1-carboximidamide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)imidazole-1-carboximidamide
PubChem CID139093612
Molecular FormulaC40H72N16
Molecular Weight777.13 g/mol
Exact Mass776.61
IUPAC NameN,N'-di(propan-2-yl)imidazole-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1
InChIInChI=1S/4C10H18N4/c4*1-8(2)12-10(13-9(3)4)14-6-5-11-7-14/h4*5-9H,1-4H3,(H,12,13)
InChIKeyFUMWEFAJYAYITB-UHFFFAOYSA-N
XLogP5.97
TPSA168.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.13
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N,N'-di(propan-2-yl)imidazole-1-carboximidamide 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 N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The IUPAC name of N,N'-di(propan-2-yl)imidazole-1-carboximidamide (CID 139093612) is N,N'-di(propan-2-yl)imidazole-1-carboximidamide.
What is the SMILES notation for N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The canonical SMILES for N,N'-di(propan-2-yl)imidazole-1-carboximidamide is CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.CC(C)/N=C(/NC(C)C)n1ccnc1.
What is the InChIKey of N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The InChIKey is FUMWEFAJYAYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H18N4/c4*1-8(2)12-10(13-9(3)4)14-6-5-11-7-14/h4*5-9H,1-4H3,(H,12,13).
What are the key properties of N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
N,N'-di(propan-2-yl)imidazole-1-carboximidamide has a molecular weight of 777.13 g/mol, XLogP of 5.97, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)imidazole-1-carboximidamide is sourced from PubChem (CID 139093612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).