benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium

C18H20BrN4O2+ — CID 8547549

IUPACbenzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccccc1
InChIInChI=1S/C18H19BrN4O2/c1-2-23(10-12-6-4-3-5-7-12)11-17(24)20-14-9-16-15(8-13(14)19)21-18(25)22-16/h3-9H,2,10-11H2,1H3,(H,20,24)(H2,21,22,25)/p+1
InChIKeyONMVSGGYSPWOBQ-UHFFFAOYSA-O
MW404.29 g/mol
LogP1.66
Rot. Bonds6

About benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium

benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium (PubChem CID 8547549) has the molecular formula C18H20BrN4O2+ and a molecular weight of 404.29 g/mol. Its IUPAC name is benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Namebenzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
PubChem CID8547549
Molecular FormulaC18H20BrN4O2+
Molecular Weight404.29 g/mol
Exact Mass403.08
IUPAC Namebenzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccccc1
InChIInChI=1S/C18H19BrN4O2/c1-2-23(10-12-6-4-3-5-7-12)11-17(24)20-14-9-16-15(8-13(14)19)21-18(25)22-16/h3-9H,2,10-11H2,1H3,(H,20,24)(H2,21,22,25)/p+1
InChIKeyONMVSGGYSPWOBQ-UHFFFAOYSA-O
XLogP1.66
TPSA82.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8677199
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8541329
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
CID 8541446
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207
benzyl-ethyl-[3-(2-fluoroanilino)-3-oxopropyl]azanium
CID 7027949
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium?
The IUPAC name of benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium (CID 8547549) is benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium.
What is the SMILES notation for benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium?
The canonical SMILES for benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccccc1.
What is the InChIKey of benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium?
The InChIKey is ONMVSGGYSPWOBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19BrN4O2/c1-2-23(10-12-6-4-3-5-7-12)11-17(24)20-14-9-16-15(8-13(14)19)21-18(25)22-16/h3-9H,2,10-11H2,1H3,(H,20,24)(H2,21,22,25)/p+1.
What are the key properties of benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium?
benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium has a molecular weight of 404.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8547549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).