1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one

C15H13BrN2O2S — CID 62025267

IUPAC1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)c2sccc2Br)c2ccccc21
InChIInChI=1S/C15H13BrN2O2S/c1-2-17-11-5-3-4-6-12(11)18(15(17)20)9-13(19)14-10(16)7-8-21-14/h3-8H,2,9H2,1H3
InChIKeyMPHNYBAPJHROSZ-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one

1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one (PubChem CID 62025267) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
PubChem CID62025267
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)c2sccc2Br)c2ccccc21
InChIInChI=1S/C15H13BrN2O2S/c1-2-17-11-5-3-4-6-12(11)18(15(17)20)9-13(19)14-10(16)7-8-21-14/h3-8H,2,9H2,1H3
InChIKeyMPHNYBAPJHROSZ-UHFFFAOYSA-N
XLogP3.53
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-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 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one (CID 62025267) is 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(CC(=O)c2sccc2Br)c2ccccc21.
What is the InChIKey of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The InChIKey is MPHNYBAPJHROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-2-17-11-5-3-4-6-12(11)18(15(17)20)9-13(19)14-10(16)7-8-21-14/h3-8H,2,9H2,1H3.
What are the key properties of 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one?
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one has a molecular weight of 365.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 62025267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).