2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide

C21H24BrN3O — CID 17001917

IUPAC2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H24BrN3O/c1-3-12-24(13-4-2)20(26)15-25-19-11-6-5-10-18(19)23-21(25)16-8-7-9-17(22)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeySTDXFBSEMOOWHF-UHFFFAOYSA-N
MW414.35 g/mol
LogP5.11
Rot. Bonds7

About 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide

2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide (PubChem CID 17001917) has the molecular formula C21H24BrN3O and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
PubChem CID17001917
Molecular FormulaC21H24BrN3O
Molecular Weight414.35 g/mol
Exact Mass413.11
IUPAC Name2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C21H24BrN3O/c1-3-12-24(13-4-2)20(26)15-25-19-11-6-5-10-18(19)23-21(25)16-8-7-9-17(22)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeySTDXFBSEMOOWHF-UHFFFAOYSA-N
XLogP5.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032863
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17000570
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 17001797
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide (CID 17001917) is 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is STDXFBSEMOOWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O/c1-3-12-24(13-4-2)20(26)15-25-19-11-6-5-10-18(19)23-21(25)16-8-7-9-17(22)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 414.35 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 17001917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).