N-(4H-imidazol-2-yl)-2-methylpropanamide

C7H11N3O — CID 167613668

IUPACN-(4H-imidazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1=NCC=N1
InChIInChI=1S/C7H11N3O/c1-5(2)6(11)10-7-8-3-4-9-7/h3,5H,4H2,1-2H3,(H,9,10,11)
InChIKeyAXVCZBADPMKEPD-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.20
Rot. Bonds1

About N-(4H-imidazol-2-yl)-2-methylpropanamide

N-(4H-imidazol-2-yl)-2-methylpropanamide (PubChem CID 167613668) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(4H-imidazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4H-imidazol-2-yl)-2-methylpropanamide
PubChem CID167613668
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(4H-imidazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1=NCC=N1
InChIInChI=1S/C7H11N3O/c1-5(2)6(11)10-7-8-3-4-9-7/h3,5H,4H2,1-2H3,(H,9,10,11)
InChIKeyAXVCZBADPMKEPD-UHFFFAOYSA-N
XLogP0.20
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4H-imidazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4H-imidazol-2-yl)-2-methylpropanamide (CID 167613668) is N-(4H-imidazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4H-imidazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4H-imidazol-2-yl)-2-methylpropanamide is CC(C)C(=O)NC1=NCC=N1.
What is the InChIKey of N-(4H-imidazol-2-yl)-2-methylpropanamide?
The InChIKey is AXVCZBADPMKEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)6(11)10-7-8-3-4-9-7/h3,5H,4H2,1-2H3,(H,9,10,11).
What are the key properties of N-(4H-imidazol-2-yl)-2-methylpropanamide?
N-(4H-imidazol-2-yl)-2-methylpropanamide has a molecular weight of 153.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-imidazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 167613668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).