N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C23H23F3N4O4 — CID 126689245

IUPACN-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CC(O)CO)C1=O
InChIInChI=1S/C23H23F3N4O4/c1-29-8-7-17(21(29)34)13-5-6-19-18(10-13)27-22(30(19)11-16(32)12-31)28-20(33)14-3-2-4-15(9-14)23(24,25)26/h2-6,9-10,16-17,31-32H,7-8,11-12H2,1H3,(H,27,28,33)
InChIKeyIQXDGAYMNRVRQD-UHFFFAOYSA-N
MW476.46 g/mol
LogP2.61
Rot. Bonds6

About N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126689245) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126689245
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC NameN-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CC(O)CO)C1=O
InChIInChI=1S/C23H23F3N4O4/c1-29-8-7-17(21(29)34)13-5-6-19-18(10-13)27-22(30(19)11-16(32)12-31)28-20(33)14-3-2-4-15(9-14)23(24,25)26/h2-6,9-10,16-17,31-32H,7-8,11-12H2,1H3,(H,27,28,33)
InChIKeyIQXDGAYMNRVRQD-UHFFFAOYSA-N
XLogP2.61
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3S)-3,4-dihydroxybutyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689311
N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689252
N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689334
3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide
CID 126710679
3-[1-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]benzimidazol-5-yl]-1-methylpyrrolidin-2-one
CID 166958198
N-[6-[(3S)-3,4-dihydroxybutyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]-1H-benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126696729
N-[5-(6-cyclopropyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 140899980
N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 156570667
N-[5-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688464
N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 145277966
N-[5-[2-(dimethylamino)-5-oxopentan-2-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126718873
N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1-propoxybutyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 166958127

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126689245) is N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CC(O)CO)C1=O.
What is the InChIKey of N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is IQXDGAYMNRVRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-29-8-7-17(21(29)34)13-5-6-19-18(10-13)27-22(30(19)11-16(32)12-31)28-20(33)14-3-2-4-15(9-14)23(24,25)26/h2-6,9-10,16-17,31-32H,7-8,11-12H2,1H3,(H,27,28,33).
What are the key properties of N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 476.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126689245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).