2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol

C19H18F5N3O3 — CID 166627375

IUPAC2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol
SMILESCc1c(OCC(F)(F)F)ccnc1CC(C)(O)c1nc2ccc(OC(F)F)cc2[nH]1
InChIInChI=1S/C19H18F5N3O3/c1-10-14(25-6-5-15(10)29-9-19(22,23)24)8-18(2,28)16-26-12-4-3-11(30-17(20)21)7-13(12)27-16/h3-7,17,28H,8-9H2,1-2H3,(H,26,27)
InChIKeyHOOVTRNJXJEWNP-UHFFFAOYSA-N
MW431.36 g/mol
LogP4.26
Rot. Bonds7

About 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol

2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol (PubChem CID 166627375) has the molecular formula C19H18F5N3O3 and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol
PubChem CID166627375
Molecular FormulaC19H18F5N3O3
Molecular Weight431.36 g/mol
Exact Mass431.13
IUPAC Name2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol
SMILESCc1c(OCC(F)(F)F)ccnc1CC(C)(O)c1nc2ccc(OC(F)F)cc2[nH]1
InChIInChI=1S/C19H18F5N3O3/c1-10-14(25-6-5-15(10)29-9-19(22,23)24)8-18(2,28)16-26-12-4-3-11(30-17(20)21)7-13(12)27-16/h3-7,17,28H,8-9H2,1-2H3,(H,26,27)
InChIKeyHOOVTRNJXJEWNP-UHFFFAOYSA-N
XLogP4.26
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Raf265
CID 11656518
2-Aminobenzimidazole, 12
CID 17755723
5-Hydroxy Lansoprazole Sulfide
CID 71749087
Benzimidazole-urea, 33
CID 10206527
Benzimidazole-urea, 31
CID 10278843
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
CID 11384346
5-(2,2,2-Trifluoroethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 15163494
5-(1,1,2,2-Tetrafluoroethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 15163498
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol (CID 166627375) is 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol is Cc1c(OCC(F)(F)F)ccnc1CC(C)(O)c1nc2ccc(OC(F)F)cc2[nH]1.
What is the InChIKey of 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol?
The InChIKey is HOOVTRNJXJEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O3/c1-10-14(25-6-5-15(10)29-9-19(22,23)24)8-18(2,28)16-26-12-4-3-11(30-17(20)21)7-13(12)27-16/h3-7,17,28H,8-9H2,1-2H3,(H,26,27).
What are the key properties of 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol?
2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol has a molecular weight of 431.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethoxy)-1H-benzimidazol-2-yl]-1-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 166627375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).