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

C34H25N3O — CID 160945722

IUPAC2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol
SMILESCCn1c(-c2ccccc2O)nc2c(-c3cc(-c4cc5ccccc5cn4)c4ccccc4c3)cccc21
InChIInChI=1S/C34H25N3O/c1-2-37-31-16-9-15-27(33(31)36-34(37)28-14-7-8-17-32(28)38)25-18-23-11-5-6-13-26(23)29(19-25)30-20-22-10-3-4-12-24(22)21-35-30/h3-21,38H,2H2,1H3
InChIKeyKHPFXIPELRSRRE-UHFFFAOYSA-N
MW491.59 g/mol
LogP8.46
Rot. Bonds4

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

2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol (PubChem CID 160945722) has the molecular formula C34H25N3O and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol
PubChem CID160945722
Molecular FormulaC34H25N3O
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC Name2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol
SMILESCCn1c(-c2ccccc2O)nc2c(-c3cc(-c4cc5ccccc5cn4)c4ccccc4c3)cccc21
InChIInChI=1S/C34H25N3O/c1-2-37-31-16-9-15-27(33(31)36-34(37)28-14-7-8-17-32(28)38)25-18-23-11-5-6-13-26(23)29(19-25)30-20-22-10-3-4-12-24(22)21-35-30/h3-21,38H,2H2,1H3
InChIKeyKHPFXIPELRSRRE-UHFFFAOYSA-N
XLogP8.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
2-[4-(3-isoquinolin-1-ylnaphthalen-1-yl)-1-methylbenzimidazol-2-yl]phenol
CID 166057478
2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140832986
2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]phenol
CID 140832158
4-isoquinolin-3-yl-7-(4-methylnaphthalen-2-yl)-2,9-diphenyl-1,10-phenanthroline
CID 144839303
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-methylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420114
1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934480
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164
2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylnaphthalen-1-yl)-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140832677
7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline
CID 118059227
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-propan-2-ylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420122
2,4-ditert-butyl-6-[4-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol
CID 140832364

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol (CID 160945722) is 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol is CCn1c(-c2ccccc2O)nc2c(-c3cc(-c4cc5ccccc5cn4)c4ccccc4c3)cccc21.
What is the InChIKey of 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol?
The InChIKey is KHPFXIPELRSRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O/c1-2-37-31-16-9-15-27(33(31)36-34(37)28-14-7-8-17-32(28)38)25-18-23-11-5-6-13-26(23)29(19-25)30-20-22-10-3-4-12-24(22)21-35-30/h3-21,38H,2H2,1H3.
What are the key properties of 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol?
2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol has a molecular weight of 491.59 g/mol, XLogP of 8.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-4-(4-isoquinolin-3-ylnaphthalen-2-yl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 160945722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).