2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol

C25H19N5O — CID 135532484

IUPAC2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol
SMILESOCCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12
InChIInChI=1S/C25H19N5O/c31-11-10-15-5-3-7-22-23(15)28-25(27-22)24-19-12-16(8-9-21(19)29-30-24)20-14-26-13-17-4-1-2-6-18(17)20/h1-9,12-14,31H,10-11H2,(H,27,28)(H,29,30)
InChIKeyQDEKRCQGZNYLPN-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.86
Rot. Bonds4

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

2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol (PubChem CID 135532484) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol
PubChem CID135532484
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol
SMILESOCCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12
InChIInChI=1S/C25H19N5O/c31-11-10-15-5-3-7-22-23(15)28-25(27-22)24-19-12-16(8-9-21(19)29-30-24)20-14-26-13-17-4-1-2-6-18(17)20/h1-9,12-14,31H,10-11H2,(H,27,28)(H,29,30)
InChIKeyQDEKRCQGZNYLPN-UHFFFAOYSA-N
XLogP4.86
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Indazole-benzimidazole, 5
CID 135928473
6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 46234933
2-(((5-(3-(1H-benzo[d]imidazol-2-yl)-1H-indazol-5-yl)-4-methylpyridin-3-yl)methyl)amino)ethan-1-ol
CID 135433080
4-(3-(4-methyl-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497852
(2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methanol
CID 135497853
4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497854
N-ethyl-N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)ethanamine
CID 135497855
N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)propan-2-amine
CID 135497865
4-(3-(4-(isopropoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497877
3-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 135497878
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
CID 135527102
4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 136118031

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol?
The IUPAC name of 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol (CID 135532484) is 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol is OCCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.
What is the InChIKey of 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol?
The InChIKey is QDEKRCQGZNYLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c31-11-10-15-5-3-7-22-23(15)28-25(27-22)24-19-12-16(8-9-21(19)29-30-24)20-14-26-13-17-4-1-2-6-18(17)20/h1-9,12-14,31H,10-11H2,(H,27,28)(H,29,30).
What are the key properties of 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol?
2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol has a molecular weight of 405.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol is sourced from PubChem (CID 135532484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).