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

C14H14BrN3OS — CID 62375397

IUPAC5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1cc2[nH]c(=O)[nH]c2cc1Br)c1sccc1C
InChIInChI=1S/C14H14BrN3OS/c1-7-3-4-20-13(7)12(16-2)8-5-10-11(6-9(8)15)18-14(19)17-10/h3-6,12,16H,1-2H3,(H2,17,18,19)
InChIKeyVNCJRGHXRYEBSE-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.30
Rot. Bonds3

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

5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62375397) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62375397
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1cc2[nH]c(=O)[nH]c2cc1Br)c1sccc1C
InChIInChI=1S/C14H14BrN3OS/c1-7-3-4-20-13(7)12(16-2)8-5-10-11(6-9(8)15)18-14(19)17-10/h3-6,12,16H,1-2H3,(H2,17,18,19)
InChIKeyVNCJRGHXRYEBSE-UHFFFAOYSA-N
XLogP3.30
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107960973
5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375563
5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375239
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 82884048
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
5-bromo-6-[2-ethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62373406
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 55083404
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381368

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62375397) is 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1cc2[nH]c(=O)[nH]c2cc1Br)c1sccc1C.
What is the InChIKey of 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VNCJRGHXRYEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c1-7-3-4-20-13(7)12(16-2)8-5-10-11(6-9(8)15)18-14(19)17-10/h3-6,12,16H,1-2H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 352.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62375397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).