N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C24H19F4N3O4 — CID 58279141

IUPACN-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1OCC(O)CO)c1cccc2[nH]c(-c3ccc(F)cc3C(F)(F)F)nc12
InChIInChI=1S/C24H19F4N3O4/c25-13-8-9-15(17(10-13)24(26,27)28)22-29-19-6-3-4-16(21(19)31-22)23(34)30-18-5-1-2-7-20(18)35-12-14(33)11-32/h1-10,14,32-33H,11-12H2,(H,29,31)(H,30,34)
InChIKeyWXCRMWAZEZQTIO-UHFFFAOYSA-N
MW489.43 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 58279141) has the molecular formula C24H19F4N3O4 and a molecular weight of 489.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID58279141
Molecular FormulaC24H19F4N3O4
Molecular Weight489.43 g/mol
Exact Mass489.13
IUPAC NameN-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1OCC(O)CO)c1cccc2[nH]c(-c3ccc(F)cc3C(F)(F)F)nc12
InChIInChI=1S/C24H19F4N3O4/c25-13-8-9-15(17(10-13)24(26,27)28)22-29-19-6-3-4-16(21(19)31-22)23(34)30-18-5-1-2-7-20(18)35-12-14(33)11-32/h1-10,14,32-33H,11-12H2,(H,29,31)(H,30,34)
InChIKeyWXCRMWAZEZQTIO-UHFFFAOYSA-N
XLogP4.37
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 58279141) is N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccc1OCC(O)CO)c1cccc2[nH]c(-c3ccc(F)cc3C(F)(F)F)nc12.
What is the InChIKey of N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is WXCRMWAZEZQTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O4/c25-13-8-9-15(17(10-13)24(26,27)28)22-29-19-6-3-4-16(21(19)31-22)23(34)30-18-5-1-2-7-20(18)35-12-14(33)11-32/h1-10,14,32-33H,11-12H2,(H,29,31)(H,30,34).
What are the key properties of N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 489.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).