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

C12H10BrN3OS — CID 62381378

IUPAC5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cccs1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H10BrN3OS/c13-7-5-9-8(15-12(17)16-9)4-6(7)11(14)10-2-1-3-18-10/h1-5,11H,14H2,(H2,15,16,17)
InChIKeyJNAFLRLMKOEPJF-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.73
Rot. Bonds2

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

5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 62381378) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
PubChem CID62381378
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC Name5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cccs1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H10BrN3OS/c13-7-5-9-8(15-12(17)16-9)4-6(7)11(14)10-2-1-3-18-10/h1-5,11H,14H2,(H2,15,16,17)
InChIKeyJNAFLRLMKOEPJF-UHFFFAOYSA-N
XLogP2.73
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino-(3-bromophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62374224
5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735
5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741369
(S)-(6-bromo-1,3-benzodioxol-5-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171213203
(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
CID 43464721
6-[amino(thiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464020
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
CID 131274072
3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one
CID 82525562
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 83903349
5-(1-amino-2-methylbutyl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 55068744
5-bromo-6-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
CID 79997266

Frequently Asked Questions

What is the IUPAC name of 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one (CID 62381378) is 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one is NC(c1cccs1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JNAFLRLMKOEPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-7-5-9-8(15-12(17)16-9)4-6(7)11(14)10-2-1-3-18-10/h1-5,11H,14H2,(H2,15,16,17).
What are the key properties of 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one has a molecular weight of 324.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62381378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).