5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one

C14H13ClN2O2S — CID 82174566

IUPAC5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(O)c3cccs3)c(Cl)cc21
InChIInChI=1S/C14H13ClN2O2S/c1-16-10-6-8(13(18)12-4-3-5-20-12)9(15)7-11(10)17(2)14(16)19/h3-7,13,18H,1-2H3
InChIKeyIYZLAPFAFONZJC-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.67
Rot. Bonds2

About 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one

5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 82174566) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID82174566
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(O)c3cccs3)c(Cl)cc21
InChIInChI=1S/C14H13ClN2O2S/c1-16-10-6-8(13(18)12-4-3-5-20-12)9(15)7-11(10)17(2)14(16)19/h3-7,13,18H,1-2H3
InChIKeyIYZLAPFAFONZJC-UHFFFAOYSA-N
XLogP2.67
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 82174566) is 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(O)c3cccs3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is IYZLAPFAFONZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-16-10-6-8(13(18)12-4-3-5-20-12)9(15)7-11(10)17(2)14(16)19/h3-7,13,18H,1-2H3.
What are the key properties of 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 308.79 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[hydroxy(thiophen-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 82174566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).