6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol

C29H35N5O — CID 24801375

IUPAC6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1cccc(CCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChIInChI=1S/C29H35N5O/c1-20-5-4-6-22(17-20)8-9-23-10-11-25-27(18-23)34(19-26-28(35)12-7-21(2)30-26)29(32-25)31-24-13-15-33(3)16-14-24/h4-7,10-12,17-18,24,35H,8-9,13-16,19H2,1-3H3,(H,31,32)
InChIKeyGJCIHRROWOGURB-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.09
Rot. Bonds7

About 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 24801375) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
PubChem CID24801375
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol
SMILESCc1cccc(CCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChIInChI=1S/C29H35N5O/c1-20-5-4-6-22(17-20)8-9-23-10-11-25-27(18-23)34(19-26-28(35)12-7-21(2)30-26)29(32-25)31-24-13-15-33(3)16-14-24/h4-7,10-12,17-18,24,35H,8-9,13-16,19H2,1-3H3,(H,31,32)
InChIKeyGJCIHRROWOGURB-UHFFFAOYSA-N
XLogP5.09
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 24801375) is 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1cccc(CCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.
What is the InChIKey of 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
The InChIKey is GJCIHRROWOGURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-20-5-4-6-22(17-20)8-9-23-10-11-25-27(18-23)34(19-26-28(35)12-7-21(2)30-26)29(32-25)31-24-13-15-33(3)16-14-24/h4-7,10-12,17-18,24,35H,8-9,13-16,19H2,1-3H3,(H,31,32).
What are the key properties of 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 469.63 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[6-[2-(3-methylphenyl)ethyl]-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 24801375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).