methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate

C19H18BrN3O3 — CID 17010396

IUPACmethyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C19H18BrN3O3/c1-12(21-19(25)13-6-5-7-14(20)10-13)18-22-15-8-3-4-9-16(15)23(18)11-17(24)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyVIXSOGFTFNMFNA-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.46
Rot. Bonds5

About methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate

methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (PubChem CID 17010396) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
PubChem CID17010396
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Namemethyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C19H18BrN3O3/c1-12(21-19(25)13-6-5-7-14(20)10-13)18-22-15-8-3-4-9-16(15)23(18)11-17(24)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyVIXSOGFTFNMFNA-UHFFFAOYSA-N
XLogP3.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010377
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17009764
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
3-bromo-N-[1-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010328
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
3-bromo-N-[1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010327
N-[1-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16967966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (CID 17010396) is methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is COC(=O)Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The InChIKey is VIXSOGFTFNMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12(21-19(25)13-6-5-7-14(20)10-13)18-22-15-8-3-4-9-16(15)23(18)11-17(24)26-2/h3-10,12H,11H2,1-2H3,(H,21,25).
What are the key properties of methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate has a molecular weight of 416.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17010396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).