2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol

C23H19Cl2N5O2 — CID 137133131

IUPAC2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(CCO)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C23H19Cl2N5O2/c1-12(21-16(24)10-26-11-17(21)25)32-14-3-5-18-15(9-14)22(30-29-18)23-27-19-4-2-13(6-7-31)8-20(19)28-23/h2-5,8-12,31H,6-7H2,1H3,(H,27,28)(H,29,30)/t12-/m1/s1
InChIKeyKJAJDINGBBZCDE-GFCCVEGCSA-N
MW468.34 g/mol
LogP5.48
Rot. Bonds6

About 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol

2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol (PubChem CID 137133131) has the molecular formula C23H19Cl2N5O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol
PubChem CID137133131
Molecular FormulaC23H19Cl2N5O2
Molecular Weight468.34 g/mol
Exact Mass467.09
IUPAC Name2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(CCO)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C23H19Cl2N5O2/c1-12(21-16(24)10-26-11-17(21)25)32-14-3-5-18-15(9-14)22(30-29-18)23-27-19-4-2-13(6-7-31)8-20(19)28-23/h2-5,8-12,31H,6-7H2,1H3,(H,27,28)(H,29,30)/t12-/m1/s1
InChIKeyKJAJDINGBBZCDE-GFCCVEGCSA-N
XLogP5.48
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?
The IUPAC name of 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol (CID 137133131) is 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol is C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(CCO)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?
The InChIKey is KJAJDINGBBZCDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H19Cl2N5O2/c1-12(21-16(24)10-26-11-17(21)25)32-14-3-5-18-15(9-14)22(30-29-18)23-27-19-4-2-13(6-7-31)8-20(19)28-23/h2-5,8-12,31H,6-7H2,1H3,(H,27,28)(H,29,30)/t12-/m1/s1.
What are the key properties of 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?
2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol has a molecular weight of 468.34 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol is sourced from PubChem (CID 137133131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).