[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone

C19H11ClFN3O2 — CID 46216386

IUPAC[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc(Oc2ncccc2Cl)cc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H11ClFN3O2/c20-14-2-1-9-22-19(14)26-13-6-3-11(4-7-13)17(25)18-23-15-8-5-12(21)10-16(15)24-18/h1-10H,(H,23,24)
InChIKeyDNUCUFFRFWLSPW-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.77
Rot. Bonds4

About [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone

[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone (PubChem CID 46216386) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
PubChem CID46216386
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC Name[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc(Oc2ncccc2Cl)cc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H11ClFN3O2/c20-14-2-1-9-22-19(14)26-13-6-3-11(4-7-13)17(25)18-23-15-8-5-12(21)10-16(15)24-18/h1-10H,(H,23,24)
InChIKeyDNUCUFFRFWLSPW-UHFFFAOYSA-N
XLogP4.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone (CID 46216386) is [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone is O=C(c1ccc(Oc2ncccc2Cl)cc1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The InChIKey is DNUCUFFRFWLSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-14-2-1-9-22-19(14)26-13-6-3-11(4-7-13)17(25)18-23-15-8-5-12(21)10-16(15)24-18/h1-10H,(H,23,24).
What are the key properties of [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone has a molecular weight of 367.77 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 46216386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).