2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol

C25H30N6O — CID 118338323

IUPAC2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2cc(-c3ccc4c(c3)ncn4C3CCCCC3)c3[nH]cnc3n2)C1
InChIInChI=1S/C25H30N6O/c32-11-9-17-8-10-30(14-17)23-13-20(24-25(29-23)27-15-26-24)18-6-7-22-21(12-18)28-16-31(22)19-4-2-1-3-5-19/h6-7,12-13,15-17,19,32H,1-5,8-11,14H2,(H,26,27,29)
InChIKeyWZGKLGFJIDBUGQ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.69
Rot. Bonds5

About 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol

2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol (PubChem CID 118338323) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol
PubChem CID118338323
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2cc(-c3ccc4c(c3)ncn4C3CCCCC3)c3[nH]cnc3n2)C1
InChIInChI=1S/C25H30N6O/c32-11-9-17-8-10-30(14-17)23-13-20(24-25(29-23)27-15-26-24)18-6-7-22-21(12-18)28-16-31(22)19-4-2-1-3-5-19/h6-7,12-13,15-17,19,32H,1-5,8-11,14H2,(H,26,27,29)
InChIKeyWZGKLGFJIDBUGQ-UHFFFAOYSA-N
XLogP4.69
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol (CID 118338323) is 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol is OCCC1CCN(c2cc(-c3ccc4c(c3)ncn4C3CCCCC3)c3[nH]cnc3n2)C1.
What is the InChIKey of 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is WZGKLGFJIDBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c32-11-9-17-8-10-30(14-17)23-13-20(24-25(29-23)27-15-26-24)18-6-7-22-21(12-18)28-16-31(22)19-4-2-1-3-5-19/h6-7,12-13,15-17,19,32H,1-5,8-11,14H2,(H,26,27,29).
What are the key properties of 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol?
2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 430.56 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 118338323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).