1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole

C14H13BrN2S — CID 63106530

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1Cc1cc(Br)cs1
InChIInChI=1S/C14H13BrN2S/c1-2-14-16-12-5-3-4-6-13(12)17(14)8-11-7-10(15)9-18-11/h3-7,9H,2,8H2,1H3
InChIKeyPVTXBGRYSBCNSC-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.47
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole

1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole (PubChem CID 63106530) has the molecular formula C14H13BrN2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
PubChem CID63106530
Molecular FormulaC14H13BrN2S
Molecular Weight321.24 g/mol
Exact Mass320.00
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1Cc1cc(Br)cs1
InChIInChI=1S/C14H13BrN2S/c1-2-14-16-12-5-3-4-6-13(12)17(14)8-11-7-10(15)9-18-11/h3-7,9H,2,8H2,1H3
InChIKeyPVTXBGRYSBCNSC-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole 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-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole (CID 63106530) is 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole?
The InChIKey is PVTXBGRYSBCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2S/c1-2-14-16-12-5-3-4-6-13(12)17(14)8-11-7-10(15)9-18-11/h3-7,9H,2,8H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole?
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole has a molecular weight of 321.24 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole is sourced from PubChem (CID 63106530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).