N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide

C9H15N3O — CID 131063419

IUPACN,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(C)C)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)8-10-5-7(11-8)9(13)12(3)4/h5-6H,1-4H3,(H,10,11)
InChIKeyVXMZEUVPVXUPLB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds2

About N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide

N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide (PubChem CID 131063419) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide
PubChem CID131063419
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(C)C)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)8-10-5-7(11-8)9(13)12(3)4/h5-6H,1-4H3,(H,10,11)
InChIKeyVXMZEUVPVXUPLB-UHFFFAOYSA-N
XLogP1.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide (CID 131063419) is N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide is CC(C)c1ncc(C(=O)N(C)C)[nH]1.
What is the InChIKey of N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is VXMZEUVPVXUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)8-10-5-7(11-8)9(13)12(3)4/h5-6H,1-4H3,(H,10,11).
What are the key properties of N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide?
N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 131063419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).