5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide

C12H20N4O2 — CID 10868781

IUPAC5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
SMILESCCCCNC(=O)c1[nH]cnc1C(=O)NC(C)C
InChIInChI=1S/C12H20N4O2/c1-4-5-6-13-11(17)9-10(15-7-14-9)12(18)16-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,15)(H,16,18)
InChIKeyAWJNOJOTBIAZCX-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.08
Rot. Bonds6

About 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide

5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide (PubChem CID 10868781) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
PubChem CID10868781
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
SMILESCCCCNC(=O)c1[nH]cnc1C(=O)NC(C)C
InChIInChI=1S/C12H20N4O2/c1-4-5-6-13-11(17)9-10(15-7-14-9)12(18)16-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,15)(H,16,18)
InChIKeyAWJNOJOTBIAZCX-UHFFFAOYSA-N
XLogP1.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide (CID 10868781) is 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide is CCCCNC(=O)c1[nH]cnc1C(=O)NC(C)C.
What is the InChIKey of 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is AWJNOJOTBIAZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-5-6-13-11(17)9-10(15-7-14-9)12(18)16-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,15)(H,16,18).
What are the key properties of 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 10868781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).