2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol

C33H23N3O — CID 166057478

IUPAC2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cc(-c4nccc5ccccc45)cc4ccccc34)cccc21
InChIInChI=1S/C33H23N3O/c1-36-29-15-8-14-26(32(29)35-33(36)27-13-6-7-16-30(27)37)28-20-23(19-22-10-3-4-11-24(22)28)31-25-12-5-2-9-21(25)17-18-34-31/h2-20,37H,1H3
InChIKeyPYGCIMIUSUGFGZ-UHFFFAOYSA-N
MW477.57 g/mol
LogP7.98
Rot. Bonds3

About 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol

2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol (PubChem CID 166057478) has the molecular formula C33H23N3O and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
PubChem CID166057478
Molecular FormulaC33H23N3O
Molecular Weight477.57 g/mol
Exact Mass477.18
IUPAC Name2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cc(-c4nccc5ccccc45)cc4ccccc34)cccc21
InChIInChI=1S/C33H23N3O/c1-36-29-15-8-14-26(32(29)35-33(36)27-13-6-7-16-30(27)37)28-20-23(19-22-10-3-4-11-24(22)28)31-25-12-5-2-9-21(25)17-18-34-31/h2-20,37H,1H3
InChIKeyPYGCIMIUSUGFGZ-UHFFFAOYSA-N
XLogP7.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol
CID 160945722
2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
CID 176622987
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
CID 140864433
2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177093762
2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-1-ylphenyl)benzimidazol-2-yl]phenol
CID 140831944
2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 176622832
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol (CID 166057478) is 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol is Cn1c(-c2ccccc2O)nc2c(-c3cc(-c4nccc5ccccc45)cc4ccccc34)cccc21.
What is the InChIKey of 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol?
The InChIKey is PYGCIMIUSUGFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O/c1-36-29-15-8-14-26(32(29)35-33(36)27-13-6-7-16-30(27)37)28-20-23(19-22-10-3-4-11-24(22)28)31-25-12-5-2-9-21(25)17-18-34-31/h2-20,37H,1H3.
What are the key properties of 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol?
2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol has a molecular weight of 477.57 g/mol, XLogP of 7.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 166057478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).