N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide

C23H23N5O3 — CID 139447725

IUPACN-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
SMILESCC(C)(O)Cn1c(NC(=O)c2ccnc(-c3cccnc3)c2)nc2cc(CO)ccc21
InChIInChI=1S/C23H23N5O3/c1-23(2,31)14-28-20-6-5-15(13-29)10-19(20)26-22(28)27-21(30)16-7-9-25-18(11-16)17-4-3-8-24-12-17/h3-12,29,31H,13-14H2,1-2H3,(H,26,27,30)
InChIKeyLKIMCEUWKWUHJV-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.01
Rot. Bonds6

About N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide

N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide (PubChem CID 139447725) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
PubChem CID139447725
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
SMILESCC(C)(O)Cn1c(NC(=O)c2ccnc(-c3cccnc3)c2)nc2cc(CO)ccc21
InChIInChI=1S/C23H23N5O3/c1-23(2,31)14-28-20-6-5-15(13-29)10-19(20)26-22(28)27-21(30)16-7-9-25-18(11-16)17-4-3-8-24-12-17/h3-12,29,31H,13-14H2,1-2H3,(H,26,27,30)
InChIKeyLKIMCEUWKWUHJV-UHFFFAOYSA-N
XLogP3.01
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-hydroxy-2-methylpropyl)-5-(4-methoxybutyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 158164099
N-[1-(2-hydroxy-2-methylpropyl)-5-(oxan-4-yl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447850
N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447719
N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 172541799
methyl 3-[[5-(hydroxymethyl)-1-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]benzimidazol-2-yl]carbamoyl]benzoate
CID 166454170
2-(2-formyl-3-hydroxyphenoxy)-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 170171494
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 44573502
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 139447854
N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 91174971
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
N-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyridine-4-carboxamide
CID 10193154

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide (CID 139447725) is N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide is CC(C)(O)Cn1c(NC(=O)c2ccnc(-c3cccnc3)c2)nc2cc(CO)ccc21.
What is the InChIKey of N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?
The InChIKey is LKIMCEUWKWUHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-23(2,31)14-28-20-6-5-15(13-29)10-19(20)26-22(28)27-21(30)16-7-9-25-18(11-16)17-4-3-8-24-12-17/h3-12,29,31H,13-14H2,1-2H3,(H,26,27,30).
What are the key properties of N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?
N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 139447725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).