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

C24H24N4O3 — CID 139447834

IUPACN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3ccccc3n2CC(C)(C)O)ccn1
InChIInChI=1S/C24H24N4O3/c1-24(2,30)15-28-20-10-6-5-9-18(20)26-23(28)27-22(29)16-12-13-25-19(14-16)17-8-4-7-11-21(17)31-3/h4-14,30H,15H2,1-3H3,(H,26,27,29)
InChIKeyDTWVBUMCITZCIB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.13
Rot. Bonds6

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

N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 139447834) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID139447834
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3ccccc3n2CC(C)(C)O)ccn1
InChIInChI=1S/C24H24N4O3/c1-24(2,30)15-28-20-10-6-5-9-18(20)26-23(28)27-22(29)16-12-13-25-19(14-16)17-8-4-7-11-21(17)31-3/h4-14,30H,15H2,1-3H3,(H,26,27,29)
InChIKeyDTWVBUMCITZCIB-UHFFFAOYSA-N
XLogP4.13
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide (CID 139447834) is N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2nc3ccccc3n2CC(C)(C)O)ccn1.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is DTWVBUMCITZCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-24(2,30)15-28-20-10-6-5-9-18(20)26-23(28)27-22(29)16-12-13-25-19(14-16)17-8-4-7-11-21(17)31-3/h4-14,30H,15H2,1-3H3,(H,26,27,29).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 139447834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).