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

C18H18BrN3O — CID 60528463

IUPAC3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCn1c(CNC(=O)CCc2ccccc2Br)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-22-16-9-5-4-8-15(16)21-17(22)12-20-18(23)11-10-13-6-2-3-7-14(13)19/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyDCYOYNONWPLGDI-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.58
Rot. Bonds5

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

3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 60528463) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
PubChem CID60528463
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCn1c(CNC(=O)CCc2ccccc2Br)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-22-16-9-5-4-8-15(16)21-17(22)12-20-18(23)11-10-13-6-2-3-7-14(13)19/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyDCYOYNONWPLGDI-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 51510547
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (CID 60528463) is 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is Cn1c(CNC(=O)CCc2ccccc2Br)nc2ccccc21.
What is the InChIKey of 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is DCYOYNONWPLGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22-16-9-5-4-8-15(16)21-17(22)12-20-18(23)11-10-13-6-2-3-7-14(13)19/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 372.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 60528463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).