2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C25H29N5O2 — CID 58869458

IUPAC2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCNc1nc2ccc(CN(CCO)c3cccc(C)c3)cc2n1Cc1nc(C)ccc1O
InChIInChI=1S/C25H29N5O2/c1-17-5-4-6-20(13-17)29(11-12-31)15-19-8-9-21-23(14-19)30(25(26-3)28-21)16-22-24(32)10-7-18(2)27-22/h4-10,13-14,31-32H,11-12,15-16H2,1-3H3,(H,26,28)
InChIKeyQZKRSRFEQAZFEM-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.84
Rot. Bonds8

About 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 58869458) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID58869458
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCNc1nc2ccc(CN(CCO)c3cccc(C)c3)cc2n1Cc1nc(C)ccc1O
InChIInChI=1S/C25H29N5O2/c1-17-5-4-6-20(13-17)29(11-12-31)15-19-8-9-21-23(14-19)30(25(26-3)28-21)16-22-24(32)10-7-18(2)27-22/h4-10,13-14,31-32H,11-12,15-16H2,1-3H3,(H,26,28)
InChIKeyQZKRSRFEQAZFEM-UHFFFAOYSA-N
XLogP3.84
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 58869458) is 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is CNc1nc2ccc(CN(CCO)c3cccc(C)c3)cc2n1Cc1nc(C)ccc1O.
What is the InChIKey of 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is QZKRSRFEQAZFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-5-4-6-20(13-17)29(11-12-31)15-19-8-9-21-23(14-19)30(25(26-3)28-21)16-22-24(32)10-7-18(2)27-22/h4-10,13-14,31-32H,11-12,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 431.54 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 58869458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).