1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

C18H13F6N5O — CID 10387906

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ncccc2C(F)(F)F)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H13F6N5O/c19-17(20,21)10-3-4-12-13(8-10)27-16(26-12)29-7-6-28(9-14(29)30)15-11(18(22,23)24)2-1-5-25-15/h1-5,8H,6-7,9H2,(H,26,27)
InChIKeyWACZGNXUFWDMSQ-UHFFFAOYSA-N
MW429.32 g/mol
LogP3.85
Rot. Bonds2

About 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (PubChem CID 10387906) has the molecular formula C18H13F6N5O and a molecular weight of 429.32 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
PubChem CID10387906
Molecular FormulaC18H13F6N5O
Molecular Weight429.32 g/mol
Exact Mass429.10
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ncccc2C(F)(F)F)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H13F6N5O/c19-17(20,21)10-3-4-12-13(8-10)27-16(26-12)29-7-6-28(9-14(29)30)15-11(18(22,23)24)2-1-5-25-15/h1-5,8H,6-7,9H2,(H,26,27)
InChIKeyWACZGNXUFWDMSQ-UHFFFAOYSA-N
XLogP3.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one with MolForge

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Related Compounds

PF-4708671
CID 51371303
N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide
CID 25138294
1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
2-pyridin-2-yl-1H-benzimidazole-6-carboximidamide
CID 10037159
1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309
1-Ethyl-3-[5-(5-Fluoropyridin-3-Yl)-7-(Pyrimidin-2-Yl)-1h-Benzimidazol-2-Yl]urea
CID 11494578
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11646514
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365983
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (CID 10387906) is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is O=C1CN(c2ncccc2C(F)(F)F)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The InChIKey is WACZGNXUFWDMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N5O/c19-17(20,21)10-3-4-12-13(8-10)27-16(26-12)29-7-6-28(9-14(29)30)15-11(18(22,23)24)2-1-5-25-15/h1-5,8H,6-7,9H2,(H,26,27).
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one has a molecular weight of 429.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 10387906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).