[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate

C27H37N5O5 — CID 165388326

IUPAC[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc(C(OC(N)=O)C(C)(C)C)[nH]c23)CC1
InChIInChI=1S/C27H37N5O5/c1-27(2,3)24(37-26(28)34)22-14-17-13-19(32-10-9-29-16-32)15-21(23(17)31-22)25(33)30-18-5-7-20(8-6-18)36-12-11-35-4/h9-10,13-16,18,20,24,31H,5-8,11-12H2,1-4H3,(H2,28,34)(H,30,33)
InChIKeyAFPJUKZUIKHYFG-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.24
Rot. Bonds9

About [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate

[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate (PubChem CID 165388326) has the molecular formula C27H37N5O5 and a molecular weight of 511.62 g/mol. Its IUPAC name is [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate.

Molecular Properties

Compound Name[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
PubChem CID165388326
Molecular FormulaC27H37N5O5
Molecular Weight511.62 g/mol
Exact Mass511.28
IUPAC Name[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc(C(OC(N)=O)C(C)(C)C)[nH]c23)CC1
InChIInChI=1S/C27H37N5O5/c1-27(2,3)24(37-26(28)34)22-14-17-13-19(32-10-9-29-16-32)15-21(23(17)31-22)25(33)30-18-5-7-20(8-6-18)36-12-11-35-4/h9-10,13-16,18,20,24,31H,5-8,11-12H2,1-4H3,(H2,28,34)(H,30,33)
InChIKeyAFPJUKZUIKHYFG-UHFFFAOYSA-N
XLogP4.24
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
CID 130405298
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]-3-nitro-1H-indole-7-carboxamide
CID 156733686
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
CID 175222075
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
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-[(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)amino]cyclohexyl]-1H-indole-7-carboxamide
CID 130405295
5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
CID 121379161
N-[4-[(2S)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[4-[(2R)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 162221230
1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide
CID 140809803

Frequently Asked Questions

What is the IUPAC name of [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate?
The IUPAC name of [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate (CID 165388326) is [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate.
What is the SMILES notation for [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate?
The canonical SMILES for [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate is COCCOC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc(C(OC(N)=O)C(C)(C)C)[nH]c23)CC1.
What is the InChIKey of [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate?
The InChIKey is AFPJUKZUIKHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O5/c1-27(2,3)24(37-26(28)34)22-14-17-13-19(32-10-9-29-16-32)15-21(23(17)31-22)25(33)30-18-5-7-20(8-6-18)36-12-11-35-4/h9-10,13-16,18,20,24,31H,5-8,11-12H2,1-4H3,(H2,28,34)(H,30,33).
What are the key properties of [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate?
[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate has a molecular weight of 511.62 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate is sourced from PubChem (CID 165388326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).