2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol

C23H22N6O — CID 135433080

IUPAC2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol
SMILESCc1c(CNCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C23H22N6O/c1-14-16(11-24-8-9-30)12-25-13-18(14)15-6-7-19-17(10-15)22(29-28-19)23-26-20-4-2-3-5-21(20)27-23/h2-7,10,12-13,24,30H,8-9,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyQJZIBKKHTMXJGL-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.56
Rot. Bonds6

About 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol

2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol (PubChem CID 135433080) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol
PubChem CID135433080
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol
SMILESCc1c(CNCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C23H22N6O/c1-14-16(11-24-8-9-30)12-25-13-18(14)15-6-7-19-17(10-15)22(29-28-19)23-26-20-4-2-3-5-21(20)27-23/h2-7,10,12-13,24,30H,8-9,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyQJZIBKKHTMXJGL-UHFFFAOYSA-N
XLogP3.56
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol (CID 135433080) is 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol is Cc1c(CNCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol?
The InChIKey is QJZIBKKHTMXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-14-16(11-24-8-9-30)12-25-13-18(14)15-6-7-19-17(10-15)22(29-28-19)23-26-20-4-2-3-5-21(20)27-23/h2-7,10,12-13,24,30H,8-9,11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol?
2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol has a molecular weight of 398.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 135433080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).