1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate

C15H16F2N2O2 — CID 134011207

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
SMILESCC(OC(=O)C1CC1C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C15H16F2N2O2/c1-8-7-10(8)14(20)21-9(2)13-18-11-5-3-4-6-12(11)19(13)15(16)17/h3-6,8-10,15H,7H2,1-2H3
InChIKeyUHIIBZOTXZXERA-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.69
Rot. Bonds4

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate (PubChem CID 134011207) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
PubChem CID134011207
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
SMILESCC(OC(=O)C1CC1C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C15H16F2N2O2/c1-8-7-10(8)14(20)21-9(2)13-18-11-5-3-4-6-12(11)19(13)15(16)17/h3-6,8-10,15H,7H2,1-2H3
InChIKeyUHIIBZOTXZXERA-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate (CID 134011207) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate is CC(OC(=O)C1CC1C)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate?
The InChIKey is UHIIBZOTXZXERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-8-7-10(8)14(20)21-9(2)13-18-11-5-3-4-6-12(11)19(13)15(16)17/h3-6,8-10,15H,7H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate has a molecular weight of 294.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 134011207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).