1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone

C17H13FN2O — CID 41273796

IUPAC1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c18-11-7-5-10(6-8-11)12-9-13(12)16(21)17-19-14-3-1-2-4-15(14)20-17/h1-8,12-13H,9H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyXLMQVSNYCUHXNE-STQMWFEESA-N
MW280.30 g/mol
LogP3.69
Rot. Bonds3

About 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone

1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 41273796) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID41273796
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c18-11-7-5-10(6-8-11)12-9-13(12)16(21)17-19-14-3-1-2-4-15(14)20-17/h1-8,12-13H,9H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyXLMQVSNYCUHXNE-STQMWFEESA-N
XLogP3.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone (CID 41273796) is 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone is O=C(c1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is XLMQVSNYCUHXNE-STQMWFEESA-N. The full InChI is InChI=1S/C17H13FN2O/c18-11-7-5-10(6-8-11)12-9-13(12)16(21)17-19-14-3-1-2-4-15(14)20-17/h1-8,12-13H,9H2,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 280.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 41273796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).