N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide

C9H18IN3O — CID 174443148

IUPACN,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide
SMILESCC(C)N(C)C(=O)N1C=CN(C)C1.I
InChIInChI=1S/C9H17N3O.HI/c1-8(2)11(4)9(13)12-6-5-10(3)7-12;/h5-6,8H,7H2,1-4H3;1H
InChIKeyNZTGPMVGODWRGO-UHFFFAOYSA-N
MW311.17 g/mol
LogP1.74
Rot. Bonds1

About N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide

N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide (PubChem CID 174443148) has the molecular formula C9H18IN3O and a molecular weight of 311.17 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide
PubChem CID174443148
Molecular FormulaC9H18IN3O
Molecular Weight311.17 g/mol
Exact Mass311.05
IUPAC NameN,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide
SMILESCC(C)N(C)C(=O)N1C=CN(C)C1.I
InChIInChI=1S/C9H17N3O.HI/c1-8(2)11(4)9(13)12-6-5-10(3)7-12;/h5-6,8H,7H2,1-4H3;1H
InChIKeyNZTGPMVGODWRGO-UHFFFAOYSA-N
XLogP1.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide?
The IUPAC name of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide (CID 174443148) is N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide.
What is the SMILES notation for N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide?
The canonical SMILES for N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide is CC(C)N(C)C(=O)N1C=CN(C)C1.I.
What is the InChIKey of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide?
The InChIKey is NZTGPMVGODWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.HI/c1-8(2)11(4)9(13)12-6-5-10(3)7-12;/h5-6,8H,7H2,1-4H3;1H.
What are the key properties of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide?
N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide has a molecular weight of 311.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide;hydroiodide is sourced from PubChem (CID 174443148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).