N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H23F3N4O4 — CID 126688290

IUPACN-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4/c25-24(26,27)16-3-1-2-15(10-16)21(34)29-22-28-18-11-17(30-8-9-35-12-20(30)33)4-5-19(18)31(22)13-23(14-32)6-7-23/h1-5,10-11,32H,6-9,12-14H2,(H,28,29,34)
InChIKeyRASBTWUSIWJMKL-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.44
Rot. Bonds6

About N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688290) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688290
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4/c25-24(26,27)16-3-1-2-15(10-16)21(34)29-22-28-18-11-17(30-8-9-35-12-20(30)33)4-5-19(18)31(22)13-23(14-32)6-7-23/h1-5,10-11,32H,6-9,12-14H2,(H,28,29,34)
InChIKeyRASBTWUSIWJMKL-UHFFFAOYSA-N
XLogP3.44
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688290) is N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is RASBTWUSIWJMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c25-24(26,27)16-3-1-2-15(10-16)21(34)29-22-28-18-11-17(30-8-9-35-12-20(30)33)4-5-19(18)31(22)13-23(14-32)6-7-23/h1-5,10-11,32H,6-9,12-14H2,(H,28,29,34).
What are the key properties of N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).