3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol

C34H21FN4O — CID 144941124

IUPAC3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2cccc(-n3cc(-c4ccc5cccc(F)c5n4)c4ccccc43)c2[nH]1
InChIInChI=1S/C34H21FN4O/c35-26-11-5-9-20-15-16-27(36-32(20)26)25-19-39(29-13-4-3-10-23(25)29)30-14-6-12-28-33(30)38-34(37-28)24-17-21-7-1-2-8-22(21)18-31(24)40/h1-19,40H,(H,37,38)
InChIKeyZLDGSOXCEZTZGE-UHFFFAOYSA-N
MW520.57 g/mol
LogP8.39
Rot. Bonds3

About 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol

3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol (PubChem CID 144941124) has the molecular formula C34H21FN4O and a molecular weight of 520.57 g/mol. Its IUPAC name is 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol
PubChem CID144941124
Molecular FormulaC34H21FN4O
Molecular Weight520.57 g/mol
Exact Mass520.17
IUPAC Name3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2cccc(-n3cc(-c4ccc5cccc(F)c5n4)c4ccccc43)c2[nH]1
InChIInChI=1S/C34H21FN4O/c35-26-11-5-9-20-15-16-27(36-32(20)26)25-19-39(29-13-4-3-10-23(25)29)30-14-6-12-28-33(30)38-34(37-28)24-17-21-7-1-2-8-22(21)18-31(24)40/h1-19,40H,(H,37,38)
InChIKeyZLDGSOXCEZTZGE-UHFFFAOYSA-N
XLogP8.39
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
1-({[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl)-2-naphthol
CID 1207297
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195
5-ethyl-2-fluoro-4-[3-[5-(quinolin-6-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
CID 91669301
5-ethyl-2-fluoro-4-[3-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
CID 91669306
US20230279025, Example 111
CID 156124684
US20230279025, Example 30
CID 156124793
2-Fluoro-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168278577
2-[6-(quinolin-4-ylamino)-1H-benzimidazol-2-yl]phenol
CID 136998821
2-(2-Hydroxyphenyl)imidazo(4,5-f)(1,10)phenanthroline
CID 135934901
2-[1H-benzimidazol-2-yl-[7-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-2-yl]methyl]-4-fluorophenol
CID 164883974

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol?
The IUPAC name of 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol (CID 144941124) is 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol?
The canonical SMILES for 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nc2cccc(-n3cc(-c4ccc5cccc(F)c5n4)c4ccccc43)c2[nH]1.
What is the InChIKey of 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol?
The InChIKey is ZLDGSOXCEZTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21FN4O/c35-26-11-5-9-20-15-16-27(36-32(20)26)25-19-39(29-13-4-3-10-23(25)29)30-14-6-12-28-33(30)38-34(37-28)24-17-21-7-1-2-8-22(21)18-31(24)40/h1-19,40H,(H,37,38).
What are the key properties of 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol?
3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol has a molecular weight of 520.57 g/mol, XLogP of 8.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 144941124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).