1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol

C14H14F3N5O — CID 101497115

IUPAC1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1nn(C)c(N)c1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-7-10(11(18)22(2)21-7)13(23,14(15,16)17)12-19-8-5-3-4-6-9(8)20-12/h3-6,23H,18H2,1-2H3,(H,19,20)
InChIKeyOQNLWTQJPCCBBY-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.99
Rot. Bonds2

About 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol

1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 101497115) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID101497115
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1nn(C)c(N)c1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-7-10(11(18)22(2)21-7)13(23,14(15,16)17)12-19-8-5-3-4-6-9(8)20-12/h3-6,23H,18H2,1-2H3,(H,19,20)
InChIKeyOQNLWTQJPCCBBY-UHFFFAOYSA-N
XLogP1.99
TPSA92.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol with MolForge

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Related Compounds

1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497117
1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
CID 2999018
1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol
CID 134833260
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
CID 102199414
2-[1-(1H-benzimidazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-4-phenoxyphenol
CID 4918421
(1S)-1-[5-amino-1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-2,2,2-trifluoro-1-(1-propylbenzimidazol-2-yl)ethanol
CID 7042106
1H-benzimidazol-2-yl(difluoro)methanesulfonate
CID 5047631
2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
CID 149030200
methanamine;2-methyl-1H-benzimidazole
CID 143453689
[1-(1H-benzimidazol-2-yl)-1-phosphonoethyl]phosphonic acid;hydrate
CID 87788958
2-methyl-1H-benzimidazole
CID 11984

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol (CID 101497115) is 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol is Cc1nn(C)c(N)c1C(O)(c1nc2ccccc2[nH]1)C(F)(F)F.
What is the InChIKey of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is OQNLWTQJPCCBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-7-10(11(18)22(2)21-7)13(23,14(15,16)17)12-19-8-5-3-4-6-9(8)20-12/h3-6,23H,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 325.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 101497115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).