N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C23H24N6O3 — CID 154861318

IUPACN-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C23H24N6O3/c30-22(17-6-8-25-21(14-17)32-18-7-13-31-15-18)27-23-26-19-4-1-2-5-20(19)29(23)11-3-10-28-12-9-24-16-28/h1-2,4-6,8-9,12,14,16,18H,3,7,10-11,13,15H2,(H,26,27,30)
InChIKeyIOMVXZFIOZUMMX-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.14
Rot. Bonds8

About N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 154861318) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID154861318
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C23H24N6O3/c30-22(17-6-8-25-21(14-17)32-18-7-13-31-15-18)27-23-26-19-4-1-2-5-20(19)29(23)11-3-10-28-12-9-24-16-28/h1-2,4-6,8-9,12,14,16,18H,3,7,10-11,13,15H2,(H,26,27,30)
InChIKeyIOMVXZFIOZUMMX-UHFFFAOYSA-N
XLogP3.14
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 154861318) is N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccnc(OC2CCOC2)c1.
What is the InChIKey of N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is IOMVXZFIOZUMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-22(17-6-8-25-21(14-17)32-18-7-13-31-15-18)27-23-26-19-4-1-2-5-20(19)29(23)11-3-10-28-12-9-24-16-28/h1-2,4-6,8-9,12,14,16,18H,3,7,10-11,13,15H2,(H,26,27,30).
What are the key properties of N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 154861318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).