3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide

C21H20F3N5O2 — CID 171566330

IUPAC3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cc(N2CCC[C@@H]2CO)cc(-n2ccnc2)c1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)19-10-15(3-4-26-19)27-20(31)14-8-17(28-7-5-25-13-28)11-18(9-14)29-6-1-2-16(29)12-30/h3-5,7-11,13,16,30H,1-2,6,12H2,(H,26,27,31)/t16-/m1/s1
InChIKeyFWOJIENUBGFKKA-MRXNPFEDSA-N
MW431.42 g/mol
LogP3.50
Rot. Bonds5

About 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide (PubChem CID 171566330) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
PubChem CID171566330
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cc(N2CCC[C@@H]2CO)cc(-n2ccnc2)c1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)19-10-15(3-4-26-19)27-20(31)14-8-17(28-7-5-25-13-28)11-18(9-14)29-6-1-2-16(29)12-30/h3-5,7-11,13,16,30H,1-2,6,12H2,(H,26,27,31)/t16-/m1/s1
InChIKeyFWOJIENUBGFKKA-MRXNPFEDSA-N
XLogP3.50
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 171566301
3-[(2S)-2-hydroxypyrrolidin-1-yl]-5-imidazol-1-yl-N-(4-methoxycyclohexyl)benzamide
CID 171566244
1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 117028425
6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
N-[4-[4-[[4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoyl]amino]anilino]phenyl]-1-methylpyrrole-2-carboxamide
CID 71009266
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122051698
4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 166435239

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide (CID 171566330) is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cc(N2CCC[C@@H]2CO)cc(-n2ccnc2)c1.
What is the InChIKey of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The InChIKey is FWOJIENUBGFKKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c22-21(23,24)19-10-15(3-4-26-19)27-20(31)14-8-17(28-7-5-25-13-28)11-18(9-14)29-6-1-2-16(29)12-30/h3-5,7-11,13,16,30H,1-2,6,12H2,(H,26,27,31)/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide has a molecular weight of 431.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 171566330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).