3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol

C24H25N3O3 — CID 126726482

IUPAC3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cnc(OCCCO)cc21
InChIInChI=1S/C24H25N3O3/c1-2-27-21-16-22(30-15-9-14-28)25-17-20(21)26-23(27)24(29,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16-17,28-29H,2,9,14-15H2,1H3
InChIKeyZVJVWSMNOMKJQN-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.50
Rot. Bonds8

About 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol

3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol (PubChem CID 126726482) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol
PubChem CID126726482
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cnc(OCCCO)cc21
InChIInChI=1S/C24H25N3O3/c1-2-27-21-16-22(30-15-9-14-28)25-17-20(21)26-23(27)24(29,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16-17,28-29H,2,9,14-15H2,1H3
InChIKeyZVJVWSMNOMKJQN-UHFFFAOYSA-N
XLogP3.50
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol?
The IUPAC name of 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol (CID 126726482) is 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol?
The canonical SMILES for 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cnc(OCCCO)cc21.
What is the InChIKey of 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol?
The InChIKey is ZVJVWSMNOMKJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-27-21-16-22(30-15-9-14-28)25-17-20(21)26-23(27)24(29,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16-17,28-29H,2,9,14-15H2,1H3.
What are the key properties of 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol?
3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol has a molecular weight of 403.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxypropan-1-ol is sourced from PubChem (CID 126726482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).