2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide

C21H32N4O3 — CID 101335016

IUPAC2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide
SMILESCCCCn1c(C(=O)NC(C)(C)C)nc(-c2ccco2)c1C(=O)NC(C)(C)C
InChIInChI=1S/C21H32N4O3/c1-8-9-12-25-16(18(26)23-20(2,3)4)15(14-11-10-13-28-14)22-17(25)19(27)24-21(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,23,26)(H,24,27)
InChIKeyBDAWIPQBNATZFI-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.00
Rot. Bonds6

About 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide

2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide (PubChem CID 101335016) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide
PubChem CID101335016
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide
SMILESCCCCn1c(C(=O)NC(C)(C)C)nc(-c2ccco2)c1C(=O)NC(C)(C)C
InChIInChI=1S/C21H32N4O3/c1-8-9-12-25-16(18(26)23-20(2,3)4)15(14-11-10-13-28-14)22-17(25)19(27)24-21(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,23,26)(H,24,27)
InChIKeyBDAWIPQBNATZFI-UHFFFAOYSA-N
XLogP4.00
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 4713572
2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 646603
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61272441
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide (CID 101335016) is 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide is CCCCn1c(C(=O)NC(C)(C)C)nc(-c2ccco2)c1C(=O)NC(C)(C)C.
What is the InChIKey of 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide?
The InChIKey is BDAWIPQBNATZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-8-9-12-25-16(18(26)23-20(2,3)4)15(14-11-10-13-28-14)22-17(25)19(27)24-21(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,23,26)(H,24,27).
What are the key properties of 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide?
2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-3-butyl-5-(furan-2-yl)imidazole-2,4-dicarboxamide is sourced from PubChem (CID 101335016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).