5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one

C17H13ClF2N2O2 — CID 122656465

IUPAC5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3OCC3CC3(F)F)cc2[nH]1
InChIInChI=1S/C17H13ClF2N2O2/c18-11-2-1-3-14(24-8-10-7-17(10,19)20)15(11)9-4-5-12-13(6-9)22-16(23)21-12/h1-6,10H,7-8H2,(H2,21,22,23)
InChIKeyREOWYTNXQQEUTB-UHFFFAOYSA-N
MW350.75 g/mol
LogP4.21
Rot. Bonds4

About 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one

5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656465) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122656465
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC Name5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3OCC3CC3(F)F)cc2[nH]1
InChIInChI=1S/C17H13ClF2N2O2/c18-11-2-1-3-14(24-8-10-7-17(10,19)20)15(11)9-4-5-12-13(6-9)22-16(23)21-12/h1-6,10H,7-8H2,(H2,21,22,23)
InChIKeyREOWYTNXQQEUTB-UHFFFAOYSA-N
XLogP4.21
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122656465) is 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cccc3OCC3CC3(F)F)cc2[nH]1.
What is the InChIKey of 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is REOWYTNXQQEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2/c18-11-2-1-3-14(24-8-10-7-17(10,19)20)15(11)9-4-5-12-13(6-9)22-16(23)21-12/h1-6,10H,7-8H2,(H2,21,22,23).
What are the key properties of 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 350.75 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-[(2,2-difluorocyclopropyl)methoxy]phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).