5-chloro-1,3-dimethylbenzimidazol-2-one;ethane

C11H15ClN2O — CID 144584589

IUPAC5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
SMILESCC.Cn1c(=O)n(C)c2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O.C2H6/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;1-2/h3-5H,1-2H3;1-2H3
InChIKeyFHWNNURLBNMNDD-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.56
Rot. Bonds

About 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane

5-chloro-1,3-dimethylbenzimidazol-2-one;ethane (PubChem CID 144584589) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane.

Molecular Properties

Compound Name5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
PubChem CID144584589
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
SMILESCC.Cn1c(=O)n(C)c2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O.C2H6/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;1-2/h3-5H,1-2H3;1-2H3
InChIKeyFHWNNURLBNMNDD-UHFFFAOYSA-N
XLogP2.56
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one
CID 3061787
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772315
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
sodium 1,3-dimethyl-5-sulfinatobenzimidazol-2-one
CID 163343256
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259468
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
1,3,5,6-tetramethylbenzimidazol-2-one
CID 23560568
1,3-dimethyl-5-(3-oxobut-1-enyl)benzimidazol-2-one
CID 74041276
1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one
CID 167762125
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane?
The IUPAC name of 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane (CID 144584589) is 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane.
What is the SMILES notation for 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane?
The canonical SMILES for 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane is CC.Cn1c(=O)n(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane?
The InChIKey is FHWNNURLBNMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O.C2H6/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane?
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane has a molecular weight of 226.71 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylbenzimidazol-2-one;ethane is sourced from PubChem (CID 144584589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).