2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C27H38N6O2 — CID 69250261

IUPAC2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2c(c1)nc(N(CCN1CCOCC1)C1CCNCC1)n2Cc1nc(C)ccc1O
InChIInChI=1S/C27H38N6O2/c1-19-16-20(2)26-23(17-19)30-27(33(26)18-24-25(34)5-4-21(3)29-24)32(22-6-8-28-9-7-22)11-10-31-12-14-35-15-13-31/h4-5,16-17,22,28,34H,6-15,18H2,1-3H3
InChIKeyNGQWMQBTRMZXSJ-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.00
Rot. Bonds7

About 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 69250261) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID69250261
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1cc(C)c2c(c1)nc(N(CCN1CCOCC1)C1CCNCC1)n2Cc1nc(C)ccc1O
InChIInChI=1S/C27H38N6O2/c1-19-16-20(2)26-23(17-19)30-27(33(26)18-24-25(34)5-4-21(3)29-24)32(22-6-8-28-9-7-22)11-10-31-12-14-35-15-13-31/h4-5,16-17,22,28,34H,6-15,18H2,1-3H3
InChIKeyNGQWMQBTRMZXSJ-UHFFFAOYSA-N
XLogP3.00
TPSA78.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol with MolForge

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Related Compounds

CID 11249932
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CID 511013
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CID 511012
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CID 11168530
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CID 22343463
CID 22343463
CID 24799465
CID 24799465
CID 24799467
CID 24799467
CID 24801203
CID 24801203
CID 44427436
CID 44427436
CID 17759633
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CID 24799468
CID 24799468
CID 24799974
CID 24799974

Frequently Asked Questions

What is the IUPAC name of 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 69250261) is 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1cc(C)c2c(c1)nc(N(CCN1CCOCC1)C1CCNCC1)n2Cc1nc(C)ccc1O.
What is the InChIKey of 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is NGQWMQBTRMZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-19-16-20(2)26-23(17-19)30-27(33(26)18-24-25(34)5-4-21(3)29-24)32(22-6-8-28-9-7-22)11-10-31-12-14-35-15-13-31/h4-5,16-17,22,28,34H,6-15,18H2,1-3H3.
What are the key properties of 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 478.64 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-dimethyl-2-[2-morpholin-4-ylethyl(piperidin-4-yl)amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 69250261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).