2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol

C20H19N7O — CID 138385007

IUPAC2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESCc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)ncn4CCO)c2n1
InChIInChI=1S/C20H19N7O/c1-13-9-14(2)27-20(24-13)16(11-23-27)19-21-5-6-26(19)15-3-4-18-17(10-15)22-12-25(18)7-8-28/h3-6,9-12,28H,7-8H2,1-2H3
InChIKeyFPXNZCRQQBGEQT-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.54
Rot. Bonds4

About 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol

2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol (PubChem CID 138385007) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
PubChem CID138385007
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESCc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)ncn4CCO)c2n1
InChIInChI=1S/C20H19N7O/c1-13-9-14(2)27-20(24-13)16(11-23-27)19-21-5-6-26(19)15-3-4-18-17(10-15)22-12-25(18)7-8-28/h3-6,9-12,28H,7-8H2,1-2H3
InChIKeyFPXNZCRQQBGEQT-UHFFFAOYSA-N
XLogP2.54
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol with MolForge

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Related Compounds

4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol
CID 138377916
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2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
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7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one
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2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
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2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol
CID 50958161
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
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CID 3817354

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol (CID 138385007) is 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol is Cc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)ncn4CCO)c2n1.
What is the InChIKey of 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The InChIKey is FPXNZCRQQBGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13-9-14(2)27-20(24-13)16(11-23-27)19-21-5-6-26(19)15-3-4-18-17(10-15)22-12-25(18)7-8-28/h3-6,9-12,28H,7-8H2,1-2H3.
What are the key properties of 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol has a molecular weight of 373.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 138385007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).