1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol

C16H14N4O — CID 50965231

IUPAC1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccc(-n3ncc4ccccc43)cc2[nH]1
InChIInChI=1S/C16H14N4O/c1-10(21)16-18-13-7-6-12(8-14(13)19-16)20-15-5-3-2-4-11(15)9-17-20/h2-10,21H,1H3,(H,18,19)
InChIKeyQSUWIIYPHVYDPY-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.96
Rot. Bonds2

About 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol

1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol (PubChem CID 50965231) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol
PubChem CID50965231
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccc(-n3ncc4ccccc43)cc2[nH]1
InChIInChI=1S/C16H14N4O/c1-10(21)16-18-13-7-6-12(8-14(13)19-16)20-15-5-3-2-4-11(15)9-17-20/h2-10,21H,1H3,(H,18,19)
InChIKeyQSUWIIYPHVYDPY-UHFFFAOYSA-N
XLogP2.96
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 95205037
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 168512602
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1-naphthalen-2-ylindazole
CID 134338014
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 66555065
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
1-(5-indazol-1-yl-2-pyridinyl)propan-1-ol
CID 112585519

Frequently Asked Questions

What is the IUPAC name of 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol (CID 50965231) is 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol is CC(O)c1nc2ccc(-n3ncc4ccccc43)cc2[nH]1.
What is the InChIKey of 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is QSUWIIYPHVYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10(21)16-18-13-7-6-12(8-14(13)19-16)20-15-5-3-2-4-11(15)9-17-20/h2-10,21H,1H3,(H,18,19).
What are the key properties of 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol?
1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 278.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 50965231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).