5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol

C25H21F2N5O — CID 135159042

IUPAC5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol
SMILESCN1N=C(c2ccc(-c3cc(F)cc(F)c3)cc2)C(O)C1c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/C25H21F2N5O/c1-32-23(25-29-20-8-16-11-28-12-17(16)9-21(20)30-25)24(33)22(31-32)14-4-2-13(3-5-14)15-6-18(26)10-19(27)7-15/h2-10,23-24,28,33H,11-12H2,1H3,(H,29,30)
InChIKeyCNWQWBSDYHNCQE-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.86
Rot. Bonds3

About 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol

5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol (PubChem CID 135159042) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol.

Molecular Properties

Compound Name5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol
PubChem CID135159042
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol
SMILESCN1N=C(c2ccc(-c3cc(F)cc(F)c3)cc2)C(O)C1c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/C25H21F2N5O/c1-32-23(25-29-20-8-16-11-28-12-17(16)9-21(20)30-25)24(33)22(31-32)14-4-2-13(3-5-14)15-6-18(26)10-19(27)7-15/h2-10,23-24,28,33H,11-12H2,1H3,(H,29,30)
InChIKeyCNWQWBSDYHNCQE-UHFFFAOYSA-N
XLogP3.86
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Mavatrep
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4-[2-[(1S,2S)-1-amino-2-hydroxypropyl]-3H-benzimidazol-5-yl]benzonitrile
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2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
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(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol?
The IUPAC name of 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol (CID 135159042) is 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol.
What is the SMILES notation for 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol?
The canonical SMILES for 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol is CN1N=C(c2ccc(-c3cc(F)cc(F)c3)cc2)C(O)C1c1nc2cc3c(cc2[nH]1)CNC3.
What is the InChIKey of 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol?
The InChIKey is CNWQWBSDYHNCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-32-23(25-29-20-8-16-11-28-12-17(16)9-21(20)30-25)24(33)22(31-32)14-4-2-13(3-5-14)15-6-18(26)10-19(27)7-15/h2-10,23-24,28,33H,11-12H2,1H3,(H,29,30).
What are the key properties of 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol?
5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol has a molecular weight of 445.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-4-ol is sourced from PubChem (CID 135159042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).