[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

C17H13N7O — CID 139598813

IUPAC[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-n3ccnc3-c3[nH]nc4ncccc34)cc2[nH]1
InChIInChI=1S/C17H13N7O/c25-9-14-20-12-4-3-10(8-13(12)21-14)24-7-6-19-17(24)15-11-2-1-5-18-16(11)23-22-15/h1-8,25H,9H2,(H,20,21)(H,18,22,23)
InChIKeyINYWFRGDCMBYLM-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.18
Rot. Bonds3

About [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (PubChem CID 139598813) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
PubChem CID139598813
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-n3ccnc3-c3[nH]nc4ncccc34)cc2[nH]1
InChIInChI=1S/C17H13N7O/c25-9-14-20-12-4-3-10(8-13(12)21-14)24-7-6-19-17(24)15-11-2-1-5-18-16(11)23-22-15/h1-8,25H,9H2,(H,20,21)(H,18,22,23)
InChIKeyINYWFRGDCMBYLM-UHFFFAOYSA-N
XLogP2.18
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 56877480
[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 138806757
[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 138806845
2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid
CID 138806357
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
CID 816966
(3S,3aR,6R,6aR)-3-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 166612280
2-(hydroxymethyl)-3H-benzimidazole-5-sulfonic acid chloride
CID 43829262
3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 170511440
N,N-dimethyl-1-[5-[1-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]thiophen-3-yl]methanamine;formic acid
CID 154919246
[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
CID 66602187
6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole
CID 138806754
oxo-[(6-pyrrol-1-yl-1H-benzimidazol-2-yl)methyl]sulfanium
CID 174285816

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (CID 139598813) is [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is OCc1nc2ccc(-n3ccnc3-c3[nH]nc4ncccc34)cc2[nH]1.
What is the InChIKey of [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is INYWFRGDCMBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c25-9-14-20-12-4-3-10(8-13(12)21-14)24-7-6-19-17(24)15-11-2-1-5-18-16(11)23-22-15/h1-8,25H,9H2,(H,20,21)(H,18,22,23).
What are the key properties of [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 331.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 139598813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).