3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

C26H28F2N4O4 — CID 126688544

IUPAC3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C26H28F2N4O4/c27-24(28)17-2-1-3-18(12-17)25(35)30-26-29-21-13-20(31-10-11-36-15-23(31)34)8-9-22(21)32(26)19-6-4-16(14-33)5-7-19/h1-3,8-9,12-13,16,19,24,33H,4-7,10-11,14-15H2,(H,29,30,35)
InChIKeyBWSBNIQXEUQKML-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.31
Rot. Bonds6

About 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 126688544) has the molecular formula C26H28F2N4O4 and a molecular weight of 498.53 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID126688544
Molecular FormulaC26H28F2N4O4
Molecular Weight498.53 g/mol
Exact Mass498.21
IUPAC Name3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C26H28F2N4O4/c27-24(28)17-2-1-3-18(12-17)25(35)30-26-29-21-13-20(31-10-11-36-15-23(31)34)8-9-22(21)32(26)19-6-4-16(14-33)5-7-19/h1-3,8-9,12-13,16,19,24,33H,4-7,10-11,14-15H2,(H,29,30,35)
InChIKeyBWSBNIQXEUQKML-UHFFFAOYSA-N
XLogP4.31
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 126688544) is 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is BWSBNIQXEUQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O4/c27-24(28)17-2-1-3-18(12-17)25(35)30-26-29-21-13-20(31-10-11-36-15-23(31)34)8-9-22(21)32(26)19-6-4-16(14-33)5-7-19/h1-3,8-9,12-13,16,19,24,33H,4-7,10-11,14-15H2,(H,29,30,35).
What are the key properties of 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 498.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).