3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol

C22H13F2N3O — CID 155805116

IUPAC3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1/ccc2c(c1)N=C(c1cc(F)cc(F)c1)N=2
InChIInChI=1S/C22H13F2N3O/c23-14-9-13(10-15(24)11-14)21-25-19-6-5-12(8-20(19)26-21)7-17-16-3-1-2-4-18(16)27-22(17)28/h1-11,27-28H/b12-7-
InChIKeyBINLOCIRCMPDJM-GHXNOFRVSA-N
MW373.36 g/mol
LogP3.69
Rot. Bonds2

About 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol

3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol (PubChem CID 155805116) has the molecular formula C22H13F2N3O and a molecular weight of 373.36 g/mol. Its IUPAC name is 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol
PubChem CID155805116
Molecular FormulaC22H13F2N3O
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1/ccc2c(c1)N=C(c1cc(F)cc(F)c1)N=2
InChIInChI=1S/C22H13F2N3O/c23-14-9-13(10-15(24)11-14)21-25-19-6-5-12(8-20(19)26-21)7-17-16-3-1-2-4-18(16)27-22(17)28/h1-11,27-28H/b12-7-
InChIKeyBINLOCIRCMPDJM-GHXNOFRVSA-N
XLogP3.69
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-1H-indole-5-carboximidamide
CID 1508
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
2-(2-hydroxybiphenyl-3-yl)-1H-indole-5-carboxamidine
CID 447476
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 9949886
4-(2-phenyl-1H-indol-3-yl)phenol
CID 13896065
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
Indirubin deriv. 8h
CID 135434954
Indirubin deriv. 9b
CID 135434955
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837
5-fluoro-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779796

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol?
The IUPAC name of 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol (CID 155805116) is 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1/ccc2c(c1)N=C(c1cc(F)cc(F)c1)N=2.
What is the InChIKey of 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol?
The InChIKey is BINLOCIRCMPDJM-GHXNOFRVSA-N. The full InChI is InChI=1S/C22H13F2N3O/c23-14-9-13(10-15(24)11-14)21-25-19-6-5-12(8-20(19)26-21)7-17-16-3-1-2-4-18(16)27-22(17)28/h1-11,27-28H/b12-7-.
What are the key properties of 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol?
3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 373.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 155805116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).