5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one

C14H11Br2N3O — CID 62374224

IUPAC5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cccc(Br)c1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H11Br2N3O/c15-8-3-1-2-7(4-8)13(17)9-5-11-12(6-10(9)16)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyOLTAMQSPIHLEPT-UHFFFAOYSA-N
MW397.07 g/mol
LogP3.43
Rot. Bonds2

About 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one

5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 62374224) has the molecular formula C14H11Br2N3O and a molecular weight of 397.07 g/mol. Its IUPAC name is 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
PubChem CID62374224
Molecular FormulaC14H11Br2N3O
Molecular Weight397.07 g/mol
Exact Mass394.93
IUPAC Name5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cccc(Br)c1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H11Br2N3O/c15-8-3-1-2-7(4-8)13(17)9-5-11-12(6-10(9)16)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyOLTAMQSPIHLEPT-UHFFFAOYSA-N
XLogP3.43
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735
5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62381378
5-bromo-6-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447679
5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 82174406
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
5-bromo-6-[bromo(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62374415
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 83903349
5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107955619
5-(1-amino-2-methylbutyl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 55068744
5-bromo-6-[bromo-(2-bromo-4-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107991847
ethyl 2-[2-amino-2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 62374568
5-bromo-6-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447590

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one (CID 62374224) is 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one is NC(c1cccc(Br)c1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OLTAMQSPIHLEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O/c15-8-3-1-2-7(4-8)13(17)9-5-11-12(6-10(9)16)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20).
What are the key properties of 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one has a molecular weight of 397.07 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62374224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).