7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one

C11H11FN2OS — CID 117206134

IUPAC7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(F)cccc2n1C1CCSC1
InChIInChI=1S/C11H11FN2OS/c12-8-2-1-3-9-10(8)13-11(15)14(9)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,13,15)
InChIKeyPQJZSJDZPFUVLQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.15
Rot. Bonds1

About 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one

7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117206134) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
PubChem CID117206134
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(F)cccc2n1C1CCSC1
InChIInChI=1S/C11H11FN2OS/c12-8-2-1-3-9-10(8)13-11(15)14(9)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,13,15)
InChIKeyPQJZSJDZPFUVLQ-UHFFFAOYSA-N
XLogP2.15
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210
3-(thiolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261758
4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117208560
6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207033
5-methoxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207767
3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-fluoro-1H-benzimidazol-2-one;hydrochloride
CID 67345221
methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 91042796
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-benzimidazole-2-thione
CID 54919810
7-fluoro-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117206256

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one (CID 117206134) is 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one is O=c1[nH]c2c(F)cccc2n1C1CCSC1.
What is the InChIKey of 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is PQJZSJDZPFUVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-8-2-1-3-9-10(8)13-11(15)14(9)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,13,15).
What are the key properties of 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).