1,4-dimethyl-N-pentylimidazole-2-carboxamide

C11H19N3O — CID 135017929

IUPAC1,4-dimethyl-N-pentylimidazole-2-carboxamide
SMILESCCCCCNC(=O)c1nc(C)cn1C
InChIInChI=1S/C11H19N3O/c1-4-5-6-7-12-11(15)10-13-9(2)8-14(10)3/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyUVTXJIBNKCKYAW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.65
Rot. Bonds5

About 1,4-dimethyl-N-pentylimidazole-2-carboxamide

1,4-dimethyl-N-pentylimidazole-2-carboxamide (PubChem CID 135017929) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,4-dimethyl-N-pentylimidazole-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-pentylimidazole-2-carboxamide
PubChem CID135017929
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1,4-dimethyl-N-pentylimidazole-2-carboxamide
SMILESCCCCCNC(=O)c1nc(C)cn1C
InChIInChI=1S/C11H19N3O/c1-4-5-6-7-12-11(15)10-13-9(2)8-14(10)3/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyUVTXJIBNKCKYAW-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065558
N-Methyl-2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethanimidic acid
CID 211788
N-butyl-4-methylimidazole-1-carboxamide
CID 44306450
N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71911616
4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
N-Cyclopentyl-2-{methyl[(4-methyl-1H-imidazol-2-YL)methyl]amino}butanamide
CID 91839814
N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-N'-propylurea
CID 91923975
N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide
CID 97467417
N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
CID 124048746

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-pentylimidazole-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-pentylimidazole-2-carboxamide (CID 135017929) is 1,4-dimethyl-N-pentylimidazole-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-pentylimidazole-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-pentylimidazole-2-carboxamide is CCCCCNC(=O)c1nc(C)cn1C.
What is the InChIKey of 1,4-dimethyl-N-pentylimidazole-2-carboxamide?
The InChIKey is UVTXJIBNKCKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-6-7-12-11(15)10-13-9(2)8-14(10)3/h8H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 1,4-dimethyl-N-pentylimidazole-2-carboxamide?
1,4-dimethyl-N-pentylimidazole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-pentylimidazole-2-carboxamide is sourced from PubChem (CID 135017929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).