3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole

C25H14BrClN2O — CID 169279630

IUPAC3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole
SMILESClc1c(Br)cccc1-n1c(-c2ccccc2)nc2c3oc4ccccc4c3ccc21
InChIInChI=1S/C25H14BrClN2O/c26-18-10-6-11-19(22(18)27)29-20-14-13-17-16-9-4-5-12-21(16)30-24(17)23(20)28-25(29)15-7-2-1-3-8-15/h1-14H
InChIKeyQVZUZZCNNGQHSM-UHFFFAOYSA-N
MW473.76 g/mol
LogP8.01
Rot. Bonds2

About 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole

3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole (PubChem CID 169279630) has the molecular formula C25H14BrClN2O and a molecular weight of 473.76 g/mol. Its IUPAC name is 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole.

Molecular Properties

Compound Name3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole
PubChem CID169279630
Molecular FormulaC25H14BrClN2O
Molecular Weight473.76 g/mol
Exact Mass472.00
IUPAC Name3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole
SMILESClc1c(Br)cccc1-n1c(-c2ccccc2)nc2c3oc4ccccc4c3ccc21
InChIInChI=1S/C25H14BrClN2O/c26-18-10-6-11-19(22(18)27)29-20-14-13-17-16-9-4-5-12-21(16)30-24(17)23(20)28-25(29)15-7-2-1-3-8-15/h1-14H
InChIKeyQVZUZZCNNGQHSM-UHFFFAOYSA-N
XLogP8.01
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.76
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146227203
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
4-bromodibenzofuran;4-phenylaniline
CID 122673561
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
9-(2-dibenzofuran-4-ylphenyl)-2,7-diphenyl-3,6-bis(2-phenylphenyl)carbazole
CID 166010977
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 58518663
3-(2-bromo-3-fluorophenyl)-7-tert-butyl-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-e]benzimidazole;ethane
CID 155714752
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385469
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
10-(2-bromophenyl)-[1]benzofuro[3,2-b]indole
CID 174284299

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole?
The IUPAC name of 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole (CID 169279630) is 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole.
What is the SMILES notation for 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole?
The canonical SMILES for 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole is Clc1c(Br)cccc1-n1c(-c2ccccc2)nc2c3oc4ccccc4c3ccc21.
What is the InChIKey of 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole?
The InChIKey is QVZUZZCNNGQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrClN2O/c26-18-10-6-11-19(22(18)27)29-20-14-13-17-16-9-4-5-12-21(16)30-24(17)23(20)28-25(29)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole?
3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole has a molecular weight of 473.76 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-chlorophenyl)-2-phenyl-[1]benzofuro[2,3-e]benzimidazole is sourced from PubChem (CID 169279630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).