5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol

C19H18FN5O — CID 135988724

IUPAC5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol
SMILESCc1ccc(-c2nn(C)c(-c3nc4cc(F)c(CN)cc4[nH]3)c2O)cc1
InChIInChI=1S/C19H18FN5O/c1-10-3-5-11(6-4-10)16-18(26)17(25(2)24-16)19-22-14-7-12(9-21)13(20)8-15(14)23-19/h3-8,26H,9,21H2,1-2H3,(H,22,23)
InChIKeyCKHJFXBVKUXQQS-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.24
Rot. Bonds3

About 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol

5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol (PubChem CID 135988724) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol
PubChem CID135988724
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol
SMILESCc1ccc(-c2nn(C)c(-c3nc4cc(F)c(CN)cc4[nH]3)c2O)cc1
InChIInChI=1S/C19H18FN5O/c1-10-3-5-11(6-4-10)16-18(26)17(25(2)24-16)19-22-14-7-12(9-21)13(20)8-15(14)23-19/h3-8,26H,9,21H2,1-2H3,(H,22,23)
InChIKeyCKHJFXBVKUXQQS-UHFFFAOYSA-N
XLogP3.24
TPSA92.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol?
The IUPAC name of 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol (CID 135988724) is 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol.
What is the SMILES notation for 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol?
The canonical SMILES for 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol is Cc1ccc(-c2nn(C)c(-c3nc4cc(F)c(CN)cc4[nH]3)c2O)cc1.
What is the InChIKey of 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol?
The InChIKey is CKHJFXBVKUXQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-10-3-5-11(6-4-10)16-18(26)17(25(2)24-16)19-22-14-7-12(9-21)13(20)8-15(14)23-19/h3-8,26H,9,21H2,1-2H3,(H,22,23).
What are the key properties of 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol?
5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol has a molecular weight of 351.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol is sourced from PubChem (CID 135988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).