4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine

C18H17F2N3S — CID 142468781

IUPAC4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine
SMILESCc1ccc2c(ncn2C2=NC(C)(C)C(F)(F)c3sccc32)c1C
InChIInChI=1S/C18H17F2N3S/c1-10-5-6-13-14(11(10)2)21-9-23(13)16-12-7-8-24-15(12)18(19,20)17(3,4)22-16/h5-9H,1-4H3
InChIKeyMIHBTDDERPHGJP-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.89
Rot. Bonds

About 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine

4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine (PubChem CID 142468781) has the molecular formula C18H17F2N3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine
PubChem CID142468781
Molecular FormulaC18H17F2N3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine
SMILESCc1ccc2c(ncn2C2=NC(C)(C)C(F)(F)c3sccc32)c1C
InChIInChI=1S/C18H17F2N3S/c1-10-5-6-13-14(11(10)2)21-9-23(13)16-12-7-8-24-15(12)18(19,20)17(3,4)22-16/h5-9H,1-4H3
InChIKeyMIHBTDDERPHGJP-UHFFFAOYSA-N
XLogP4.89
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine?
The IUPAC name of 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine (CID 142468781) is 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine?
The canonical SMILES for 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine is Cc1ccc2c(ncn2C2=NC(C)(C)C(F)(F)c3sccc32)c1C.
What is the InChIKey of 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine?
The InChIKey is MIHBTDDERPHGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3S/c1-10-5-6-13-14(11(10)2)21-9-23(13)16-12-7-8-24-15(12)18(19,20)17(3,4)22-16/h5-9H,1-4H3.
What are the key properties of 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine?
4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine has a molecular weight of 345.42 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylbenzimidazol-1-yl)-7,7-difluoro-6,6-dimethylthieno[3,2-c]pyridine is sourced from PubChem (CID 142468781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).