7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione

C14H17FN2S — CID 114113671

IUPAC7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione
SMILESCC(C)C1(Cn2c(=S)[nH]c3c(F)cccc32)CC1
InChIInChI=1S/C14H17FN2S/c1-9(2)14(6-7-14)8-17-11-5-3-4-10(15)12(11)16-13(17)18/h3-5,9H,6-8H2,1-2H3,(H,16,18)
InChIKeyQQIXXBFMSWRTDG-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.27
Rot. Bonds3

About 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione

7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione (PubChem CID 114113671) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione
PubChem CID114113671
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione
SMILESCC(C)C1(Cn2c(=S)[nH]c3c(F)cccc32)CC1
InChIInChI=1S/C14H17FN2S/c1-9(2)14(6-7-14)8-17-11-5-3-4-10(15)12(11)16-13(17)18/h3-5,9H,6-8H2,1-2H3,(H,16,18)
InChIKeyQQIXXBFMSWRTDG-UHFFFAOYSA-N
XLogP4.27
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione
CID 114113680
2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 60789974
3-[2-[ethyl(methyl)amino]ethyl]-7-fluoro-1H-benzimidazole-2-thione
CID 62641636
2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetic acid
CID 69319212
7-fluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 63330061
7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione
CID 54953635
3-[2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]-1,1-dimethylurea
CID 83114777
3-[(2,5-difluorophenyl)methyl]-7-fluoro-1H-benzimidazole-2-thione
CID 63795000
7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
CID 60789505
7-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 63823899
7-fluoro-3-(thian-2-ylmethyl)-1H-benzimidazole-2-thione
CID 80612911
7-fluoro-3-hexan-2-yl-1H-benzimidazole-2-thione
CID 63545490

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
The IUPAC name of 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione (CID 114113671) is 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione is CC(C)C1(Cn2c(=S)[nH]c3c(F)cccc32)CC1.
What is the InChIKey of 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
The InChIKey is QQIXXBFMSWRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(2)14(6-7-14)8-17-11-5-3-4-10(15)12(11)16-13(17)18/h3-5,9H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione has a molecular weight of 264.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 114113671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).