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

C11H18N4O2 — CID 46264394

IUPAC4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1[nH]cnc1C(=O)NC(C)C
InChIInChI=1S/C11H18N4O2/c1-4-5-12-10(16)8-9(14-6-13-8)11(17)15-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,16)(H,13,14)(H,15,17)
InChIKeyQHHMXXMWEVGYSK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.69
Rot. Bonds5

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

4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264394) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide
PubChem CID46264394
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1[nH]cnc1C(=O)NC(C)C
InChIInChI=1S/C11H18N4O2/c1-4-5-12-10(16)8-9(14-6-13-8)11(17)15-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,16)(H,13,14)(H,15,17)
InChIKeyQHHMXXMWEVGYSK-UHFFFAOYSA-N
XLogP0.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethimizol
CID 6168
N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
CID 101504
1H-Imidazole-4,5-dicarboxamide
CID 65745
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
Ilp-II-26
CID 16196664
tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
CID 16746575
2-[[[4-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester
CID 24793386
Ilp-II-125
CID 24793388
tert-butyl (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]propanoate chloride
CID 24891746
5-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentylazanium chloride
CID 24891748
tert-butyl (2S)-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate chloride
CID 24891750
[4-(4-methylpiperidine-1-carbonyl)-1H-imidazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 44141955

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide (CID 46264394) is 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide is CCCNC(=O)c1[nH]cnc1C(=O)NC(C)C.
What is the InChIKey of 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QHHMXXMWEVGYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-5-12-10(16)8-9(14-6-13-8)11(17)15-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,16)(H,13,14)(H,15,17).
What are the key properties of 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide?
4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-5-N-propyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).