5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide

C13H16N4O3 — CID 50755921

IUPAC5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)NC(=O)c1nc[nH]c1C(=O)NCc1ccco1
InChIInChI=1S/C13H16N4O3/c1-8(2)17-13(19)11-10(15-7-16-11)12(18)14-6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyDVIQINFXHYIUHK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.07
Rot. Bonds5

About 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide

5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide (PubChem CID 50755921) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
PubChem CID50755921
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)NC(=O)c1nc[nH]c1C(=O)NCc1ccco1
InChIInChI=1S/C13H16N4O3/c1-8(2)17-13(19)11-10(15-7-16-11)12(18)14-6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyDVIQINFXHYIUHK-UHFFFAOYSA-N
XLogP1.07
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 819269
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(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
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(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
CID 82571771
N-(furan-2-ylmethyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 69379558
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
N-(furan-2-ylmethyl)acetamide
CID 2394850
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2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789

Frequently Asked Questions

What is the IUPAC name of 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide (CID 50755921) is 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide is CC(C)NC(=O)c1nc[nH]c1C(=O)NCc1ccco1.
What is the InChIKey of 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is DVIQINFXHYIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(2)17-13(19)11-10(15-7-16-11)12(18)14-6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide?
5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(furan-2-ylmethyl)-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 50755921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).