5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C24H25N5O2 — CID 137146396

IUPAC5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCN1CCN(c2ccc3nc(-c4cc(-c5ccc(CO)cc5)c[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H25N5O2/c1-28-8-10-29(11-9-28)19-6-7-21-22(13-19)27-23(26-21)20-12-18(14-25-24(20)31)17-4-2-16(15-30)3-5-17/h2-7,12-14,30H,8-11,15H2,1H3,(H,25,31)(H,26,27)
InChIKeyZGAKTBAGFDKVAP-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.83
Rot. Bonds4

About 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 137146396) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID137146396
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCN1CCN(c2ccc3nc(-c4cc(-c5ccc(CO)cc5)c[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H25N5O2/c1-28-8-10-29(11-9-28)19-6-7-21-22(13-19)27-23(26-21)20-12-18(14-25-24(20)31)17-4-2-16(15-30)3-5-17/h2-7,12-14,30H,8-11,15H2,1H3,(H,25,31)(H,26,27)
InChIKeyZGAKTBAGFDKVAP-UHFFFAOYSA-N
XLogP2.83
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 137146396) is 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is CN1CCN(c2ccc3nc(-c4cc(-c5ccc(CO)cc5)c[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is ZGAKTBAGFDKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-8-10-29(11-9-28)19-6-7-21-22(13-19)27-23(26-21)20-12-18(14-25-24(20)31)17-4-2-16(15-30)3-5-17/h2-7,12-14,30H,8-11,15H2,1H3,(H,25,31)(H,26,27).
What are the key properties of 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 415.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137146396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).