2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole

C13H13F3N2 — CID 171534811

IUPAC2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CC1CC1)n2CC(F)F
InChIInChI=1S/C13H13F3N2/c14-9-3-4-11-10(6-9)17-13(5-8-1-2-8)18(11)7-12(15)16/h3-4,6,8,12H,1-2,5,7H2
InChIKeyGRCDAVPYQRSZOI-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.39
Rot. Bonds4

About 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole

2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole (PubChem CID 171534811) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole
PubChem CID171534811
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CC1CC1)n2CC(F)F
InChIInChI=1S/C13H13F3N2/c14-9-3-4-11-10(6-9)17-13(5-8-1-2-8)18(11)7-12(15)16/h3-4,6,8,12H,1-2,5,7H2
InChIKeyGRCDAVPYQRSZOI-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole (CID 171534811) is 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole is Fc1ccc2c(c1)nc(CC1CC1)n2CC(F)F.
What is the InChIKey of 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole?
The InChIKey is GRCDAVPYQRSZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c14-9-3-4-11-10(6-9)17-13(5-8-1-2-8)18(11)7-12(15)16/h3-4,6,8,12H,1-2,5,7H2.
What are the key properties of 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole?
2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole has a molecular weight of 254.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-(2,2-difluoroethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 171534811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).