4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C23H19BrFN3O — CID 17009330

IUPAC4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C23H19BrFN3O/c1-15(26-23(29)16-10-12-18(24)13-11-16)22-27-20-8-4-5-9-21(20)28(22)14-17-6-2-3-7-19(17)25/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyJAUKESUDGLUYCR-UHFFFAOYSA-N
MW452.33 g/mol
LogP5.48
Rot. Bonds5

About 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009330) has the molecular formula C23H19BrFN3O and a molecular weight of 452.33 g/mol. Its IUPAC name is 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009330
Molecular FormulaC23H19BrFN3O
Molecular Weight452.33 g/mol
Exact Mass451.07
IUPAC Name4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C23H19BrFN3O/c1-15(26-23(29)16-10-12-18(24)13-11-16)22-27-20-8-4-5-9-21(20)28(22)14-17-6-2-3-7-19(17)25/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyJAUKESUDGLUYCR-UHFFFAOYSA-N
XLogP5.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.33
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009305
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009430

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009330) is 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is JAUKESUDGLUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O/c1-15(26-23(29)16-10-12-18(24)13-11-16)22-27-20-8-4-5-9-21(20)28(22)14-17-6-2-3-7-19(17)25/h2-13,15H,14H2,1H3,(H,26,29).
What are the key properties of 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 452.33 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).