N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C23H23F3N4O5 — CID 126688373

IUPACN-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChIInChI=1S/C23H23F3N4O5/c1-34-19-12-17-16(11-18(19)29-7-9-35-13-20(29)32)27-22(30(17)6-3-8-31)28-21(33)14-4-2-5-15(10-14)23(24,25)26/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33)
InChIKeyMWVIBGWZGQUAHC-UHFFFAOYSA-N
MW492.45 g/mol
LogP3.06
Rot. Bonds7

About N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688373) has the molecular formula C23H23F3N4O5 and a molecular weight of 492.45 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688373
Molecular FormulaC23H23F3N4O5
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC NameN-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChIInChI=1S/C23H23F3N4O5/c1-34-19-12-17-16(11-18(19)29-7-9-35-13-20(29)32)27-22(30(17)6-3-8-31)28-21(33)14-4-2-5-15(10-14)23(24,25)26/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33)
InChIKeyMWVIBGWZGQUAHC-UHFFFAOYSA-N
XLogP3.06
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688373) is N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.
What is the InChIKey of N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is MWVIBGWZGQUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5/c1-34-19-12-17-16(11-18(19)29-7-9-35-13-20(29)32)27-22(30(17)6-3-8-31)28-21(33)14-4-2-5-15(10-14)23(24,25)26/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33).
What are the key properties of N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 492.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).