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2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide

C24H20F3N3O2 — CID 126726499

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(=O)NCCF)cc21
InChIInChI=1S/C24H20F3N3O2/c1-30-21-14-15(22(31)28-13-12-25)2-11-20(21)29-23(30)24(32,16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h2-11,14,32H,12-13H2,1H3,(H,28,31)
InChIKeyQWFCTQYEWFMKLG-UHFFFAOYSA-N
MW439.44 g/mol
LogP3.84
Rot. Bonds6

About 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide

2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide (PubChem CID 126726499) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide
PubChem CID126726499
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(=O)NCCF)cc21
InChIInChI=1S/C24H20F3N3O2/c1-30-21-14-15(22(31)28-13-12-25)2-11-20(21)29-23(30)24(32,16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h2-11,14,32H,12-13H2,1H3,(H,28,31)
InChIKeyQWFCTQYEWFMKLG-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide (CID 126726499) is 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide is Cn1c(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccc(C(=O)NCCF)cc21.
What is the InChIKey of 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is QWFCTQYEWFMKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-30-21-14-15(22(31)28-13-12-25)2-11-20(21)29-23(30)24(32,16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h2-11,14,32H,12-13H2,1H3,(H,28,31).
What are the key properties of 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide?
2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-fluoroethyl)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 126726499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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