6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole

C14H13FN2S — CID 60978921

IUPAC6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
SMILESFc1ccc2nc(CCCc3cccs3)[nH]c2c1
InChIInChI=1S/C14H13FN2S/c15-10-6-7-12-13(9-10)17-14(16-12)5-1-3-11-4-2-8-18-11/h2,4,6-9H,1,3,5H2,(H,16,17)
InChIKeyRKYNCQSXIFVSFN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.94
Rot. Bonds4

About 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole

6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole (PubChem CID 60978921) has the molecular formula C14H13FN2S and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
PubChem CID60978921
Molecular FormulaC14H13FN2S
Molecular Weight260.34 g/mol
Exact Mass260.08
IUPAC Name6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
SMILESFc1ccc2nc(CCCc3cccs3)[nH]c2c1
InChIInChI=1S/C14H13FN2S/c15-10-6-7-12-13(9-10)17-14(16-12)5-1-3-11-4-2-8-18-11/h2,4,6-9H,1,3,5H2,(H,16,17)
InChIKeyRKYNCQSXIFVSFN-UHFFFAOYSA-N
XLogP3.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
CID 11846692
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978360
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-methyl-5-(3-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3-thione
CID 104602157
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole (CID 60978921) is 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole is Fc1ccc2nc(CCCc3cccs3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
The InChIKey is RKYNCQSXIFVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2S/c15-10-6-7-12-13(9-10)17-14(16-12)5-1-3-11-4-2-8-18-11/h2,4,6-9H,1,3,5H2,(H,16,17).
What are the key properties of 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole has a molecular weight of 260.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole is sourced from PubChem (CID 60978921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).