N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide

C22H28N4O3 — CID 130405298

IUPACN-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
SMILESCC(C)(O)COC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1
InChIInChI=1S/C22H28N4O3/c1-22(2,28)13-29-18-5-3-16(4-6-18)25-21(27)19-12-17(26-10-9-23-14-26)11-15-7-8-24-20(15)19/h7-12,14,16,18,24,28H,3-6,13H2,1-2H3,(H,25,27)
InChIKeyNEWNAWMSCYXBCY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide

N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide (PubChem CID 130405298) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
PubChem CID130405298
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
SMILESCC(C)(O)COC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1
InChIInChI=1S/C22H28N4O3/c1-22(2,28)13-29-18-5-3-16(4-6-18)25-21(27)19-12-17(26-10-9-23-14-26)11-15-7-8-24-20(15)19/h7-12,14,16,18,24,28H,3-6,13H2,1-2H3,(H,25,27)
InChIKeyNEWNAWMSCYXBCY-UHFFFAOYSA-N
XLogP3.18
TPSA92.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
CID 165388326
1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide
CID 140809803
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
CID 156733686
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
CID 175222075
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397
N-[4-(2-hydroxy-3-methylbutoxy)cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 175222064
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide?
The IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide (CID 130405298) is N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide?
The canonical SMILES for N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide is CC(C)(O)COC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1.
What is the InChIKey of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide?
The InChIKey is NEWNAWMSCYXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(2,28)13-29-18-5-3-16(4-6-18)25-21(27)19-12-17(26-10-9-23-14-26)11-15-7-8-24-20(15)19/h7-12,14,16,18,24,28H,3-6,13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide?
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 130405298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).