2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide

C24H19F4N3O2 — CID 126726328

IUPAC2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccc(F)cc2F)c2ccc(F)cc2F)nc2ccc(C(=O)NC)cc21
InChIInChI=1S/C24H19F4N3O2/c1-3-31-21-10-13(22(32)29-2)4-9-20(21)30-23(31)24(33,16-7-5-14(25)11-18(16)27)17-8-6-15(26)12-19(17)28/h4-12,33H,3H2,1-2H3,(H,29,32)
InChIKeyHLTZDZBURPAFHZ-UHFFFAOYSA-N
MW457.43 g/mol
LogP4.26
Rot. Bonds5

About 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide

2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide (PubChem CID 126726328) has the molecular formula C24H19F4N3O2 and a molecular weight of 457.43 g/mol. Its IUPAC name is 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide
PubChem CID126726328
Molecular FormulaC24H19F4N3O2
Molecular Weight457.43 g/mol
Exact Mass457.14
IUPAC Name2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccc(F)cc2F)c2ccc(F)cc2F)nc2ccc(C(=O)NC)cc21
InChIInChI=1S/C24H19F4N3O2/c1-3-31-21-10-13(22(32)29-2)4-9-20(21)30-23(31)24(33,16-7-5-14(25)11-18(16)27)17-8-6-15(26)12-19(17)28/h4-12,33H,3H2,1-2H3,(H,29,32)
InChIKeyHLTZDZBURPAFHZ-UHFFFAOYSA-N
XLogP4.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide (CID 126726328) is 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide is CCn1c(C(O)(c2ccc(F)cc2F)c2ccc(F)cc2F)nc2ccc(C(=O)NC)cc21.
What is the InChIKey of 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide?
The InChIKey is HLTZDZBURPAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O2/c1-3-31-21-10-13(22(32)29-2)4-9-20(21)30-23(31)24(33,16-7-5-14(25)11-18(16)27)17-8-6-15(26)12-19(17)28/h4-12,33H,3H2,1-2H3,(H,29,32).
What are the key properties of 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide?
2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide has a molecular weight of 457.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 126726328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).