N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide

C6H11N3O — CID 90126408

IUPACN,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCNC(=O)C1CN=C(C)N1
InChIInChI=1S/C6H11N3O/c1-4-8-3-5(9-4)6(10)7-2/h5H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyUDAFMJIYHZQFRZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.88
Rot. Bonds1

About N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide

N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide (PubChem CID 90126408) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide
PubChem CID90126408
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCNC(=O)C1CN=C(C)N1
InChIInChI=1S/C6H11N3O/c1-4-8-3-5(9-4)6(10)7-2/h5H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyUDAFMJIYHZQFRZ-UHFFFAOYSA-N
XLogP-0.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide (CID 90126408) is N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide is CNC(=O)C1CN=C(C)N1.
What is the InChIKey of N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The InChIKey is UDAFMJIYHZQFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-8-3-5(9-4)6(10)7-2/h5H,3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide?
N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide has a molecular weight of 141.17 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide is sourced from PubChem (CID 90126408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).