1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole

C14H9BrClFN2 — CID 139609479

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole
SMILESFc1cc(Br)ccc1Cn1cnc2cc(Cl)ccc21
InChIInChI=1S/C14H9BrClFN2/c15-10-2-1-9(12(17)5-10)7-19-8-18-13-6-11(16)3-4-14(13)19/h1-6,8H,7H2
InChIKeyXDQHSKCIWVEKJB-UHFFFAOYSA-N
MW339.60 g/mol
LogP4.64
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole

1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole (PubChem CID 139609479) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole
PubChem CID139609479
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole
SMILESFc1cc(Br)ccc1Cn1cnc2cc(Cl)ccc21
InChIInChI=1S/C14H9BrClFN2/c15-10-2-1-9(12(17)5-10)7-19-8-18-13-6-11(16)3-4-14(13)19/h1-6,8H,7H2
InChIKeyXDQHSKCIWVEKJB-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-3-[(4-bromo-2-fluorophenyl)methyl]quinazolin-4-one
CID 43447734
1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 962381
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 115569491
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
3,5-dibromo-1-[(4-bromo-2-fluorophenyl)methyl]-1,2,4-triazole
CID 50999593
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
5-chloro-1-(3-methoxypropyl)benzimidazole
CID 46308557
3-[(4-bromo-2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885649
[1-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-4-oxoquinolin-3-yl] hydrogen carbonate
CID 68559432
11-[(4-bromo-2-fluorophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7630068

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole (CID 139609479) is 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole is Fc1cc(Br)ccc1Cn1cnc2cc(Cl)ccc21.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole?
The InChIKey is XDQHSKCIWVEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c15-10-2-1-9(12(17)5-10)7-19-8-18-13-6-11(16)3-4-14(13)19/h1-6,8H,7H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole?
1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole has a molecular weight of 339.60 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-5-chlorobenzimidazole is sourced from PubChem (CID 139609479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).