N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide

C10H17N3O — CID 170405635

IUPACN,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C(C)C)n1C
InChIInChI=1S/C10H17N3O/c1-6(2)8-7(3)12-9(13(8)5)10(14)11-4/h6H,1-5H3,(H,11,14)
InChIKeyZBBFLYYPGYYLFL-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds2

About N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide

N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide (PubChem CID 170405635) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide.

Molecular Properties

Compound NameN,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide
PubChem CID170405635
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C(C)C)n1C
InChIInChI=1S/C10H17N3O/c1-6(2)8-7(3)12-9(13(8)5)10(14)11-4/h6H,1-5H3,(H,11,14)
InChIKeyZBBFLYYPGYYLFL-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4,4-Difluorocyclohexyl)-1,4-dimethylimidazole-2-carboxamide
CID 175397411
1,2,5-Trimethyl-4-propan-2-ylimidazole
CID 18335538
1-Methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde
CID 22271707
1,1-Dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
CID 58592744
N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide
CID 58592799
2-[5-Methyl-4-(2-methylpropyl)imidazol-1-yl]acetamide
CID 58592849
N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]propanamide
CID 58592865
1,1-Diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
CID 58592880
1,2,4-Trimethyl-5-propan-2-ylimidazole
CID 59396117
1,5-Dimethyl-2,4-di(propan-2-yl)imidazole
CID 59421497
1-[2-(1,4-Dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 59540142
1,4-Dimethyl-2,5-di(propan-2-yl)imidazole
CID 59540235

Frequently Asked Questions

What is the IUPAC name of N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide?
The IUPAC name of N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide (CID 170405635) is N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide.
What is the SMILES notation for N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide?
The canonical SMILES for N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide is CNC(=O)c1nc(C)c(C(C)C)n1C.
What is the InChIKey of N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide?
The InChIKey is ZBBFLYYPGYYLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)8-7(3)12-9(13(8)5)10(14)11-4/h6H,1-5H3,(H,11,14).
What are the key properties of N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide?
N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4-trimethyl-5-propan-2-ylimidazole-2-carboxamide is sourced from PubChem (CID 170405635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).