[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C22H17FN4O2 — CID 58086124

IUPAC[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccc(OCc2nc3ccccc3[nH]2)c(F)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C22H17FN4O2/c23-16-10-13(21(28)15-11-25-22-14(15)4-3-9-24-22)7-8-19(16)29-12-20-26-17-5-1-2-6-18(17)27-20/h1-11,21,28H,12H2,(H,24,25)(H,26,27)
InChIKeyPRGZJRAATBVCEG-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.24
Rot. Bonds5

About [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 58086124) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID58086124
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccc(OCc2nc3ccccc3[nH]2)c(F)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C22H17FN4O2/c23-16-10-13(21(28)15-11-25-22-14(15)4-3-9-24-22)7-8-19(16)29-12-20-26-17-5-1-2-6-18(17)27-20/h1-11,21,28H,12H2,(H,24,25)(H,26,27)
InChIKeyPRGZJRAATBVCEG-UHFFFAOYSA-N
XLogP4.24
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 58086124) is [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OC(c1ccc(OCc2nc3ccccc3[nH]2)c(F)c1)c1c[nH]c2ncccc12.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is PRGZJRAATBVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-10-13(21(28)15-11-25-22-14(15)4-3-9-24-22)7-8-19(16)29-12-20-26-17-5-1-2-6-18(17)27-20/h1-11,21,28H,12H2,(H,24,25)(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 388.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 58086124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).