[2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol

C22H17FN4O — CID 68638357

IUPAC[2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESCn1c(-c2cn3cc(-c4cccc(F)c4CO)ccc3n2)nc2ccccc21
InChIInChI=1S/C22H17FN4O/c1-26-20-8-3-2-7-18(20)25-22(26)19-12-27-11-14(9-10-21(27)24-19)15-5-4-6-17(23)16(15)13-28/h2-12,28H,13H2,1H3
InChIKeyQERKEIRHWFFZAK-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.19
Rot. Bonds3

About [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol

[2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (PubChem CID 68638357) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
PubChem CID68638357
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name[2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESCn1c(-c2cn3cc(-c4cccc(F)c4CO)ccc3n2)nc2ccccc21
InChIInChI=1S/C22H17FN4O/c1-26-20-8-3-2-7-18(20)25-22(26)19-12-27-11-14(9-10-21(27)24-19)15-5-4-6-17(23)16(15)13-28/h2-12,28H,13H2,1H3
InChIKeyQERKEIRHWFFZAK-UHFFFAOYSA-N
XLogP4.19
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (CID 68638357) is [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is Cn1c(-c2cn3cc(-c4cccc(F)c4CO)ccc3n2)nc2ccccc21.
What is the InChIKey of [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The InChIKey is QERKEIRHWFFZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-26-20-8-3-2-7-18(20)25-22(26)19-12-27-11-14(9-10-21(27)24-19)15-5-4-6-17(23)16(15)13-28/h2-12,28H,13H2,1H3.
What are the key properties of [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
[2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol has a molecular weight of 372.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is sourced from PubChem (CID 68638357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).