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

C9H17N3O — CID 22047783

IUPACN,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide
SMILESCC(C)N(C)C(=O)N1C=CN(C)C1
InChIInChI=1S/C9H17N3O/c1-8(2)11(4)9(13)12-6-5-10(3)7-12/h5-6,8H,7H2,1-4H3
InChIKeyKNMCSSKSLZETFP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.12
Rot. Bonds1

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

N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide (PubChem CID 22047783) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide
PubChem CID22047783
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide
SMILESCC(C)N(C)C(=O)N1C=CN(C)C1
InChIInChI=1S/C9H17N3O/c1-8(2)11(4)9(13)12-6-5-10(3)7-12/h5-6,8H,7H2,1-4H3
InChIKeyKNMCSSKSLZETFP-UHFFFAOYSA-N
XLogP1.12
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide (CID 22047783) is N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide is CC(C)N(C)C(=O)N1C=CN(C)C1.
What is the InChIKey of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide?
The InChIKey is KNMCSSKSLZETFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)11(4)9(13)12-6-5-10(3)7-12/h5-6,8H,7H2,1-4H3.
What are the key properties of N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide?
N,3-dimethyl-N-propan-2-yl-2H-imidazole-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.12, 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 is sourced from PubChem (CID 22047783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).