2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C24H34N6O — CID 5279659

IUPAC2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C24H34N6O/c1-17-14-18(2)23-21(15-17)30(16-20-22(31)7-6-19(3)26-20)24(27-23)25-8-5-9-29-12-10-28(4)11-13-29/h6-7,14-15,31H,5,8-13,16H2,1-4H3,(H,25,27)
InChIKeyNYAUHAGMNCZGIO-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.16
Rot. Bonds7

About 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279659) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID5279659
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1
InChIInChI=1S/C24H34N6O/c1-17-14-18(2)23-21(15-17)30(16-20-22(31)7-6-19(3)26-20)24(27-23)25-8-5-9-29-12-10-28(4)11-13-29/h6-7,14-15,31H,5,8-13,16H2,1-4H3,(H,25,27)
InChIKeyNYAUHAGMNCZGIO-UHFFFAOYSA-N
XLogP3.16
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279659) is 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1.
What is the InChIKey of 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is NYAUHAGMNCZGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-17-14-18(2)23-21(15-17)30(16-20-22(31)7-6-19(3)26-20)24(27-23)25-8-5-9-29-12-10-28(4)11-13-29/h6-7,14-15,31H,5,8-13,16H2,1-4H3,(H,25,27).
What are the key properties of 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 422.58 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).