N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

C19H20BrN3O — CID 16974270

IUPACN-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C19H20BrN3O/c1-2-19(24)21-11-10-18-22-16-8-3-4-9-17(16)23(18)13-14-6-5-7-15(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,24)
InChIKeyOXYGAGMEXCGEGI-UHFFFAOYSA-N
MW386.29 g/mol
LogP3.92
Rot. Bonds6

About N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16974270) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID16974270
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC NameN-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C19H20BrN3O/c1-2-19(24)21-11-10-18-22-16-8-3-4-9-17(16)23(18)13-14-6-5-7-15(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,24)
InChIKeyOXYGAGMEXCGEGI-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980234
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978794
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970620
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408
2-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980386

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (CID 16974270) is N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is OXYGAGMEXCGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-2-19(24)21-11-10-18-22-16-8-3-4-9-17(16)23(18)13-14-6-5-7-15(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,24).
What are the key properties of N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 386.29 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16974270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).