2-bromo-1-phenylbenzimidazole

C13H9BrN2 — CID 84810012

IUPAC2-bromo-1-phenylbenzimidazole
SMILESBrc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H9BrN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H
InChIKeyQPICKCJCTMRVCS-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.79
Rot. Bonds1

About 2-bromo-1-phenylbenzimidazole

2-bromo-1-phenylbenzimidazole (PubChem CID 84810012) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-bromo-1-phenylbenzimidazole
PubChem CID84810012
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-bromo-1-phenylbenzimidazole
SMILESBrc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H9BrN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H
InChIKeyQPICKCJCTMRVCS-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-chloro-1-phenylbenzimidazole
CID 12675133
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-bromo-4-methyl-1-phenylbenzimidazole
CID 84814016
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
3-amino-1-phenylquinoxalin-2-one
CID 19045865
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 123675811
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 2-bromo-1-phenylbenzimidazole?
The IUPAC name of 2-bromo-1-phenylbenzimidazole (CID 84810012) is 2-bromo-1-phenylbenzimidazole.
What is the SMILES notation for 2-bromo-1-phenylbenzimidazole?
The canonical SMILES for 2-bromo-1-phenylbenzimidazole is Brc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-bromo-1-phenylbenzimidazole?
The InChIKey is QPICKCJCTMRVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-bromo-1-phenylbenzimidazole?
2-bromo-1-phenylbenzimidazole has a molecular weight of 273.13 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-phenylbenzimidazole is sourced from PubChem (CID 84810012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).