1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate

C20H18F2N2O3 — CID 134041184

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1COc2ccccc2C1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H18F2N2O3/c1-12(18-23-15-7-3-4-8-16(15)24(18)20(21)22)27-19(25)14-10-13-6-2-5-9-17(13)26-11-14/h2-9,12,14,20H,10-11H2,1H3
InChIKeyHBAIIAKJARNWEO-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.29
Rot. Bonds4

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 134041184) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID134041184
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1COc2ccccc2C1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H18F2N2O3/c1-12(18-23-15-7-3-4-8-16(15)24(18)20(21)22)27-19(25)14-10-13-6-2-5-9-17(13)26-11-14/h2-9,12,14,20H,10-11H2,1H3
InChIKeyHBAIIAKJARNWEO-UHFFFAOYSA-N
XLogP4.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate (CID 134041184) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate is CC(OC(=O)C1COc2ccccc2C1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is HBAIIAKJARNWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-12(18-23-15-7-3-4-8-16(15)24(18)20(21)22)27-19(25)14-10-13-6-2-5-9-17(13)26-11-14/h2-9,12,14,20H,10-11H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 372.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 134041184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).