4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide

C15H26N4O2 — CID 46264445

IUPAC4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-14(2,3)7-16-12(20)10-11(19-9-18-10)13(21)17-8-15(4,5)6/h9H,7-8H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyJDQDSQVAKZMFTI-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds4

About 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide

4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264445) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46264445
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-14(2,3)7-16-12(20)10-11(19-9-18-10)13(21)17-8-15(4,5)6/h9H,7-8H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyJDQDSQVAKZMFTI-UHFFFAOYSA-N
XLogP1.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
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
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
4-N,4-N,5-N,5-N-tetraethyl-1H-imidazole-4,5-dicarboxamide
CID 44141956

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide (CID 46264445) is 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide is CC(C)(C)CNC(=O)c1nc[nH]c1C(=O)NCC(C)(C)C.
What is the InChIKey of 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is JDQDSQVAKZMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)7-16-12(20)10-11(19-9-18-10)13(21)17-8-15(4,5)6/h9H,7-8H2,1-6H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).