5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole

C21H17BrN2 — CID 162513572

IUPAC5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
SMILESCCc1nc2cc(-c3ccc(Br)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H17BrN2/c1-2-21-23-19-14-16(15-8-11-17(22)12-9-15)10-13-20(19)24(21)18-6-4-3-5-7-18/h3-14H,2H2,1H3
InChIKeyMEFMOBANAKJXRU-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.02
Rot. Bonds3

About 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole

5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole (PubChem CID 162513572) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
PubChem CID162513572
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
SMILESCCc1nc2cc(-c3ccc(Br)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H17BrN2/c1-2-21-23-19-14-16(15-8-11-17(22)12-9-15)10-13-20(19)24(21)18-6-4-3-5-7-18/h3-14H,2H2,1H3
InChIKeyMEFMOBANAKJXRU-UHFFFAOYSA-N
XLogP6.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167410716
2-ethyl-5-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-1-phenylbenzimidazole
CID 167411007
2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
CID 173238831
4-(4-bromophenyl)-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 138576331
5-(3-bromophenyl)-1,2-diphenylbenzimidazole
CID 122424996
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
[(2-ethyl-1-phenylbenzimidazol-5-yl)amino]methanesulfinic acid
CID 174466655
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole
CID 58898406
1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 139394595

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole?
The IUPAC name of 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole (CID 162513572) is 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole is CCc1nc2cc(-c3ccc(Br)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole?
The InChIKey is MEFMOBANAKJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c1-2-21-23-19-14-16(15-8-11-17(22)12-9-15)10-13-20(19)24(21)18-6-4-3-5-7-18/h3-14H,2H2,1H3.
What are the key properties of 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole?
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole has a molecular weight of 377.29 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole is sourced from PubChem (CID 162513572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).