5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide

C21H25N5O5 — CID 156733686

IUPAC5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3c([N+](=O)[O-])c[nH]c23)CC1
InChIInChI=1S/C21H25N5O5/c1-30-8-9-31-16-4-2-14(3-5-16)24-21(27)18-11-15(25-7-6-22-13-25)10-17-19(26(28)29)12-23-20(17)18/h6-7,10-14,16,23H,2-5,8-9H2,1H3,(H,24,27)
InChIKeyRMKXQQQRGZKXEK-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.97
Rot. Bonds8

About 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide

5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide (PubChem CID 156733686) has the molecular formula C21H25N5O5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
PubChem CID156733686
Molecular FormulaC21H25N5O5
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3c([N+](=O)[O-])c[nH]c23)CC1
InChIInChI=1S/C21H25N5O5/c1-30-8-9-31-16-4-2-14(3-5-16)24-21(27)18-11-15(25-7-6-22-13-25)10-17-19(26(28)29)12-23-20(17)18/h6-7,10-14,16,23H,2-5,8-9H2,1H3,(H,24,27)
InChIKeyRMKXQQQRGZKXEK-UHFFFAOYSA-N
XLogP2.97
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
CID 165388326
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
CID 130405298
3-(hydroxymethyl)-5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-1H-indole-7-carboxamide
CID 156733664
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598624
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
CID 175222075
5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide
CID 121391556
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide
CID 155598604
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
CID 121379161
5-imidazol-1-yl-N-[4-[(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)amino]cyclohexyl]-1H-indole-7-carboxamide
CID 130405295
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide (CID 156733686) is 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide is COCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3c([N+](=O)[O-])c[nH]c23)CC1.
What is the InChIKey of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide?
The InChIKey is RMKXQQQRGZKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5/c1-30-8-9-31-16-4-2-14(3-5-16)24-21(27)18-11-15(25-7-6-22-13-25)10-17-19(26(28)29)12-23-20(17)18/h6-7,10-14,16,23H,2-5,8-9H2,1H3,(H,24,27).
What are the key properties of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide?
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide is sourced from PubChem (CID 156733686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).