1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide

C22H28N4O3 — CID 140809803

IUPAC1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide
SMILESCC(C)(O)COC1CCC(n2ccc3cc(-n4ccnc4)cc(C(N)=O)c32)CC1
InChIInChI=1S/C22H28N4O3/c1-22(2,28)13-29-18-5-3-16(4-6-18)26-9-7-15-11-17(25-10-8-24-14-25)12-19(20(15)26)21(23)27/h7-12,14,16,18,28H,3-6,13H2,1-2H3,(H2,23,27)
InChIKeyRTJZECPSIULWON-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide

1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide (PubChem CID 140809803) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide
PubChem CID140809803
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide
SMILESCC(C)(O)COC1CCC(n2ccc3cc(-n4ccnc4)cc(C(N)=O)c32)CC1
InChIInChI=1S/C22H28N4O3/c1-22(2,28)13-29-18-5-3-16(4-6-18)26-9-7-15-11-17(25-10-8-24-14-25)12-19(20(15)26)21(23)27/h7-12,14,16,18,28H,3-6,13H2,1-2H3,(H2,23,27)
InChIKeyRTJZECPSIULWON-UHFFFAOYSA-N
XLogP3.20
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide (CID 140809803) is 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide is CC(C)(O)COC1CCC(n2ccc3cc(-n4ccnc4)cc(C(N)=O)c32)CC1.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide?
The InChIKey is RTJZECPSIULWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(2,28)13-29-18-5-3-16(4-6-18)26-9-7-15-11-17(25-10-8-24-14-25)12-19(20(15)26)21(23)27/h7-12,14,16,18,28H,3-6,13H2,1-2H3,(H2,23,27).
What are the key properties of 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide?
1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide is sourced from PubChem (CID 140809803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).