N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide

C9H15N3O — CID 58415709

IUPACN,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)n1cnc(C(=O)N(C)C)c1
InChIInChI=1S/C9H15N3O/c1-7(2)12-5-8(10-6-12)9(13)11(3)4/h5-7H,1-4H3
InChIKeyPLEHUYFNYUEPTC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.17
Rot. Bonds2

About N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide

N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide (PubChem CID 58415709) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide
PubChem CID58415709
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)n1cnc(C(=O)N(C)C)c1
InChIInChI=1S/C9H15N3O/c1-7(2)12-5-8(10-6-12)9(13)11(3)4/h5-7H,1-4H3
InChIKeyPLEHUYFNYUEPTC-UHFFFAOYSA-N
XLogP1.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide (CID 58415709) is N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide is CC(C)n1cnc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide?
The InChIKey is PLEHUYFNYUEPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12-5-8(10-6-12)9(13)11(3)4/h5-7H,1-4H3.
What are the key properties of N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide?
N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 58415709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).