4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide

C15H22N4O2 — CID 46264335

IUPAC4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NC1CCCCC1)c1nc[nH]c1C(=O)NCC1CC1
InChIInChI=1S/C15H22N4O2/c20-14(16-8-10-6-7-10)12-13(18-9-17-12)15(21)19-11-4-2-1-3-5-11/h9-11H,1-8H2,(H,16,20)(H,17,18)(H,19,21)
InChIKeyLARIIQNLFLJEAG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.61
Rot. Bonds5

About 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide

4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264335) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID46264335
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NC1CCCCC1)c1nc[nH]c1C(=O)NCC1CC1
InChIInChI=1S/C15H22N4O2/c20-14(16-8-10-6-7-10)12-13(18-9-17-12)15(21)19-11-4-2-1-3-5-11/h9-11H,1-8H2,(H,16,20)(H,17,18)(H,19,21)
InChIKeyLARIIQNLFLJEAG-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
CID 101504
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
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
[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
tert-butyl 4-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 44142015
tert-butyl 4-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 44142017
tert-butyl N-[5-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]pentyl]carbamate
CID 44142005
tert-butyl 4-[[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 44141950
tert-butyl N-[5-[[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamoyl]-1H-imidazole-5-carbonyl]amino]pentyl]carbamate
CID 44141951
tert-butyl 4-[[5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 44141968

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide (CID 46264335) is 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide is O=C(NC1CCCCC1)c1nc[nH]c1C(=O)NCC1CC1.
What is the InChIKey of 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is LARIIQNLFLJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(16-8-10-6-7-10)12-13(18-9-17-12)15(21)19-11-4-2-1-3-5-11/h9-11H,1-8H2,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide?
4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-N-(cyclopropylmethyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).