3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one

C14H16F2N2O — CID 110491329

IUPAC3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)c(F)c2n1C1CCCCCC1
InChIInChI=1S/C14H16F2N2O/c15-10-7-8-11-13(12(10)16)18(14(19)17-11)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,17,19)
InChIKeyYJERCRRFIODEOD-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.50
Rot. Bonds1

About 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one

3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one (PubChem CID 110491329) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one
PubChem CID110491329
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)c(F)c2n1C1CCCCCC1
InChIInChI=1S/C14H16F2N2O/c15-10-7-8-11-13(12(10)16)18(14(19)17-11)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,17,19)
InChIKeyYJERCRRFIODEOD-UHFFFAOYSA-N
XLogP3.50
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83415043
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CID 62532538
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
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CID 172968627
4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339
3-(6,7-difluoro-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-2-one
CID 62531859
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
CID 83418165
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one (CID 110491329) is 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)c(F)c2n1C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one?
The InChIKey is YJERCRRFIODEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-10-7-8-11-13(12(10)16)18(14(19)17-11)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,17,19).
What are the key properties of 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one?
3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one has a molecular weight of 266.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 110491329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).