[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

C20H17F3N2O2 — CID 75402600

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C20H17F3N2O2/c21-14-8-6-13(7-9-14)20(10-3-11-20)18(26)27-12-17-24-15-4-1-2-5-16(15)25(17)19(22)23/h1-2,4-9,19H,3,10-12H2
InChIKeyNBYMYRCOSRIBRD-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.74
Rot. Bonds5

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate (PubChem CID 75402600) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
PubChem CID75402600
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C20H17F3N2O2/c21-14-8-6-13(7-9-14)20(10-3-11-20)18(26)27-12-17-24-15-4-1-2-5-16(15)25(17)19(22)23/h1-2,4-9,19H,3,10-12H2
InChIKeyNBYMYRCOSRIBRD-UHFFFAOYSA-N
XLogP4.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate (CID 75402600) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate is O=C(OCc1nc2ccccc2n1C(F)F)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The InChIKey is NBYMYRCOSRIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-14-8-6-13(7-9-14)20(10-3-11-20)18(26)27-12-17-24-15-4-1-2-5-16(15)25(17)19(22)23/h1-2,4-9,19H,3,10-12H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate has a molecular weight of 374.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 75402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).