N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C23H24F3N5O3 — CID 126688241

IUPACN-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C23H24F3N5O3/c1-29-9-3-10-30(22(29)34)17-7-8-19-18(14-17)27-21(31(19)11-4-12-32)28-20(33)15-5-2-6-16(13-15)23(24,25)26/h2,5-8,13-14,32H,3-4,9-12H2,1H3,(H,27,28,33)
InChIKeyJXQUFHFPBPHOOP-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.95
Rot. Bonds6

About N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688241) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688241
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC NameN-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C23H24F3N5O3/c1-29-9-3-10-30(22(29)34)17-7-8-19-18(14-17)27-21(31(19)11-4-12-32)28-20(33)15-5-2-6-16(13-15)23(24,25)26/h2,5-8,13-14,32H,3-4,9-12H2,1H3,(H,27,28,33)
InChIKeyJXQUFHFPBPHOOP-UHFFFAOYSA-N
XLogP3.95
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688241) is N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is JXQUFHFPBPHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-29-9-3-10-30(22(29)34)17-7-8-19-18(14-17)27-21(31(19)11-4-12-32)28-20(33)15-5-2-6-16(13-15)23(24,25)26/h2,5-8,13-14,32H,3-4,9-12H2,1H3,(H,27,28,33).
What are the key properties of N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 475.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).