4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol

C22H18F2N4O2 — CID 135176764

IUPAC4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol
SMILESCN1C=C(c2ccc3c(ncn3C)c2Oc2ccc(F)cc2F)c2cc[nH]c2C1O
InChIInChI=1S/C22H18F2N4O2/c1-27-10-15(13-7-8-25-19(13)22(27)29)14-4-5-17-20(26-11-28(17)2)21(14)30-18-6-3-12(23)9-16(18)24/h3-11,22,25,29H,1-2H3
InChIKeyROFFYXDUZFOVJO-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.30
Rot. Bonds3

About 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol

4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol (PubChem CID 135176764) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol
PubChem CID135176764
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol
SMILESCN1C=C(c2ccc3c(ncn3C)c2Oc2ccc(F)cc2F)c2cc[nH]c2C1O
InChIInChI=1S/C22H18F2N4O2/c1-27-10-15(13-7-8-25-19(13)22(27)29)14-4-5-17-20(26-11-28(17)2)21(14)30-18-6-3-12(23)9-16(18)24/h3-11,22,25,29H,1-2H3
InChIKeyROFFYXDUZFOVJO-UHFFFAOYSA-N
XLogP4.30
TPSA66.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol (CID 135176764) is 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol is CN1C=C(c2ccc3c(ncn3C)c2Oc2ccc(F)cc2F)c2cc[nH]c2C1O.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol?
The InChIKey is ROFFYXDUZFOVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-27-10-15(13-7-8-25-19(13)22(27)29)14-4-5-17-20(26-11-28(17)2)21(14)30-18-6-3-12(23)9-16(18)24/h3-11,22,25,29H,1-2H3.
What are the key properties of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol?
4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol has a molecular weight of 408.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1,7-dihydropyrrolo[2,3-c]pyridin-7-ol is sourced from PubChem (CID 135176764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).