5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one

C15H15BrN2O2S — CID 79999176

IUPAC5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1cc(C(O)c2ccc3c(c2)n(C)c(=O)n3C)sc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-8-6-12(21-14(8)16)13(19)9-4-5-10-11(7-9)18(3)15(20)17(10)2/h4-7,13,19H,1-3H3
InChIKeyLJEDTSLAMNEPTH-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.09
Rot. Bonds2

About 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one

5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 79999176) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID79999176
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1cc(C(O)c2ccc3c(c2)n(C)c(=O)n3C)sc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-8-6-12(21-14(8)16)13(19)9-4-5-10-11(7-9)18(3)15(20)17(10)2/h4-7,13,19H,1-3H3
InChIKeyLJEDTSLAMNEPTH-UHFFFAOYSA-N
XLogP3.09
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 80536807
5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79999604
5-[(3-bromophenyl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 62300264
5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62299917
5-[(2-bromophenyl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 62300091
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
5-[bromo-(2,5-dibromothiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 107964768
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 79996565
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one (CID 79999176) is 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one is Cc1cc(C(O)c2ccc3c(c2)n(C)c(=O)n3C)sc1Br.
What is the InChIKey of 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is LJEDTSLAMNEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-8-6-12(21-14(8)16)13(19)9-4-5-10-11(7-9)18(3)15(20)17(10)2/h4-7,13,19H,1-3H3.
What are the key properties of 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one?
5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 367.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 79999176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).