3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C22H16BrClFN3O — CID 17008077

IUPAC3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C22H16BrClFN3O/c23-15-6-3-5-14(11-15)22(29)26-12-21-27-19-9-1-2-10-20(19)28(21)13-16-17(24)7-4-8-18(16)25/h1-11H,12-13H2,(H,26,29)
InChIKeyOMXRNQKGSSDNRN-UHFFFAOYSA-N
MW472.75 g/mol
LogP5.57
Rot. Bonds5

About 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide

3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008077) has the molecular formula C22H16BrClFN3O and a molecular weight of 472.75 g/mol. Its IUPAC name is 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008077
Molecular FormulaC22H16BrClFN3O
Molecular Weight472.75 g/mol
Exact Mass471.01
IUPAC Name3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C22H16BrClFN3O/c23-15-6-3-5-14(11-15)22(29)26-12-21-27-19-9-1-2-10-20(19)28(21)13-16-17(24)7-4-8-18(16)25/h1-11H,12-13H2,(H,26,29)
InChIKeyOMXRNQKGSSDNRN-UHFFFAOYSA-N
XLogP5.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.75
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008080
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977457
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991726
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967032

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17008077) is 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is OMXRNQKGSSDNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClFN3O/c23-15-6-3-5-14(11-15)22(29)26-12-21-27-19-9-1-2-10-20(19)28(21)13-16-17(24)7-4-8-18(16)25/h1-11H,12-13H2,(H,26,29).
What are the key properties of 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 472.75 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).