10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

C31H20BrN3O — CID 129148203

IUPAC10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H20BrN3O/c32-23-19-18-21(31-33-24-12-4-5-13-25(24)34(31)22-10-2-1-3-11-22)20-28(23)35-26-14-6-8-16-29(26)36-30-17-9-7-15-27(30)35/h1-20H
InChIKeyLGIYCYLHRVVPKQ-UHFFFAOYSA-N
MW530.43 g/mol
LogP9.03
Rot. Bonds3

About 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 129148203) has the molecular formula C31H20BrN3O and a molecular weight of 530.43 g/mol. Its IUPAC name is 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
PubChem CID129148203
Molecular FormulaC31H20BrN3O
Molecular Weight530.43 g/mol
Exact Mass529.08
IUPAC Name10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H20BrN3O/c32-23-19-18-21(31-33-24-12-4-5-13-25(24)34(31)22-10-2-1-3-11-22)20-28(23)35-26-14-6-8-16-29(26)36-30-17-9-7-15-27(30)35/h1-20H
InChIKeyLGIYCYLHRVVPKQ-UHFFFAOYSA-N
XLogP9.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.43
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1-phenylbenzimidazole
CID 118145553
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[(Z)-but-1-enyl]-3-methyl-4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-1,4-benzoxazine
CID 130181334
10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine
CID 152623651
10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 165064841
15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469243
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062

Frequently Asked Questions

What is the IUPAC name of 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (CID 129148203) is 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is LGIYCYLHRVVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN3O/c32-23-19-18-21(31-33-24-12-4-5-13-25(24)34(31)22-10-2-1-3-11-22)20-28(23)35-26-14-6-8-16-29(26)36-30-17-9-7-15-27(30)35/h1-20H.
What are the key properties of 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine has a molecular weight of 530.43 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).