5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole

C35H22N4O — CID 90257208

IUPAC5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5oc(-c6ccc7ncccc7c6)nc5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C35H22N4O/c1-2-8-28(9-3-1)39-32-11-5-4-10-30(32)37-34(39)24-14-12-23(13-15-24)25-17-19-33-31(22-25)38-35(40-33)27-16-18-29-26(21-27)7-6-20-36-29/h1-22H
InChIKeyDZFZEJWIBOLKSQ-UHFFFAOYSA-N
MW514.59 g/mol
LogP8.72
Rot. Bonds4

About 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole

5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole (PubChem CID 90257208) has the molecular formula C35H22N4O and a molecular weight of 514.59 g/mol. Its IUPAC name is 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole
PubChem CID90257208
Molecular FormulaC35H22N4O
Molecular Weight514.59 g/mol
Exact Mass514.18
IUPAC Name5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5oc(-c6ccc7ncccc7c6)nc5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C35H22N4O/c1-2-8-28(9-3-1)39-32-11-5-4-10-30(32)37-34(39)24-14-12-23(13-15-24)25-17-19-33-31(22-25)38-35(40-33)27-16-18-29-26(21-27)7-6-20-36-29/h1-22H
InChIKeyDZFZEJWIBOLKSQ-UHFFFAOYSA-N
XLogP8.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole?
The IUPAC name of 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole (CID 90257208) is 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole?
The canonical SMILES for 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole is c1ccc(-n2c(-c3ccc(-c4ccc5oc(-c6ccc7ncccc7c6)nc5c4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole?
The InChIKey is DZFZEJWIBOLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O/c1-2-8-28(9-3-1)39-32-11-5-4-10-30(32)37-34(39)24-14-12-23(13-15-24)25-17-19-33-31(22-25)38-35(40-33)27-16-18-29-26(21-27)7-6-20-36-29/h1-22H.
What are the key properties of 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole?
5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole has a molecular weight of 514.59 g/mol, XLogP of 8.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-quinolin-6-yl-1,3-benzoxazole is sourced from PubChem (CID 90257208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).