N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide

C23H22N4O2 — CID 139593669

IUPACN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide
SMILESCC(C)(O)Cn1c(NC(=O)c2ccnc(-c3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)
InChIKeyUDMIRQWCOXFLHS-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide (PubChem CID 139593669) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide
PubChem CID139593669
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide
SMILESCC(C)(O)Cn1c(NC(=O)c2ccnc(-c3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)
InChIKeyUDMIRQWCOXFLHS-UHFFFAOYSA-N
XLogP4.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide (CID 139593669) is N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide is CC(C)(O)Cn1c(NC(=O)c2ccnc(-c3ccccc3)c2)nc2ccccc21.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide?
The InChIKey is UDMIRQWCOXFLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide is sourced from PubChem (CID 139593669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).