5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one

C15H16BrN3OS — CID 107960948

IUPAC5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCNC(c1csc(Br)c1)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H16BrN3OS/c1-17-14(10-7-13(16)21-8-10)9-4-5-11-12(6-9)19(3)15(20)18(11)2/h4-8,14,17H,1-3H3
InChIKeyLYAGUNHWTAIABD-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.01
Rot. Bonds3

About 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one

5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 107960948) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID107960948
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCNC(c1csc(Br)c1)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H16BrN3OS/c1-17-14(10-7-13(16)21-8-10)9-4-5-11-12(6-9)19(3)15(20)18(11)2/h4-8,14,17H,1-3H3
InChIKeyLYAGUNHWTAIABD-UHFFFAOYSA-N
XLogP3.01
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-bromothiophen-3-yl)-chloromethyl]-1,3-dimethylbenzimidazol-2-one
CID 107964767
1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
5-[bromo-(5-iodothiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79684722
5-bromo-6-[bromo-(5-bromothiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 107964782
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
8-[(5-bromothiophen-3-yl)-(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 107961313
5-[bromo-(2,5-dibromothiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 107964768
5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62299740
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
5-[bromo-(4-methylthiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79807721
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one (CID 107960948) is 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one is CNC(c1csc(Br)c1)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is LYAGUNHWTAIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c1-17-14(10-7-13(16)21-8-10)9-4-5-11-12(6-9)19(3)15(20)18(11)2/h4-8,14,17H,1-3H3.
What are the key properties of 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 366.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 107960948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).