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

C24H22N6O — CID 135857303

IUPAC5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol
SMILESCc1ccc(-c2nn(Cc3cccnc3)c(-c3nc4ccc(CN)cc4[nH]3)c2O)cc1
InChIInChI=1S/C24H22N6O/c1-15-4-7-18(8-5-15)21-23(31)22(30(29-21)14-17-3-2-10-26-13-17)24-27-19-9-6-16(12-25)11-20(19)28-24/h2-11,13,31H,12,14,25H2,1H3,(H,27,28)
InChIKeyZLGOEQYVCMWEPO-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.01
Rot. Bonds5

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

5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol (PubChem CID 135857303) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol
PubChem CID135857303
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol
SMILESCc1ccc(-c2nn(Cc3cccnc3)c(-c3nc4ccc(CN)cc4[nH]3)c2O)cc1
InChIInChI=1S/C24H22N6O/c1-15-4-7-18(8-5-15)21-23(31)22(30(29-21)14-17-3-2-10-26-13-17)24-27-19-9-6-16(12-25)11-20(19)28-24/h2-11,13,31H,12,14,25H2,1H3,(H,27,28)
InChIKeyZLGOEQYVCMWEPO-UHFFFAOYSA-N
XLogP4.01
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzoimidazole-5-carboxamidine
CID 135403661
2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide
CID 136110294
2-(5-hydroxy-6-phenylpyrimidin-4-yl)-3H-benzimidazole-5-carboximidamide
CID 136110299
5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137088467
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109972
5-(3-(1H-Benzo[D]imidazol-2-YL)-1H-indazol-5-YL)-4-methylpyridin-3-OL
CID 135484456
3-(1H-imidazo[4,5-c]pyridin-2-yl)-5-phenyl-1H-pyrazol-4-ol
CID 135988780
2-[1H-benzimidazol-2-yl-[6-[4-(1-methylpiperidin-4-yl)phenyl]indazol-2-yl]methyl]-4-fluorophenol
CID 166509760
2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
CID 139232748
1-[3-(Aminomethyl)phenyl]-6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 91311534
1-[3-(Aminomethyl)phenyl]-6-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]imidazo[4,5-c]pyridin-7-ol
CID 91363807
1-[3-(Aminomethyl)phenyl]-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]imidazo[4,5-c]pyridin-7-ol
CID 91502886

Frequently Asked Questions

What is the IUPAC name of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol?
The IUPAC name of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol (CID 135857303) is 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol.
What is the SMILES notation for 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol?
The canonical SMILES for 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol is Cc1ccc(-c2nn(Cc3cccnc3)c(-c3nc4ccc(CN)cc4[nH]3)c2O)cc1.
What is the InChIKey of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol?
The InChIKey is ZLGOEQYVCMWEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-15-4-7-18(8-5-15)21-23(31)22(30(29-21)14-17-3-2-10-26-13-17)24-27-19-9-6-16(12-25)11-20(19)28-24/h2-11,13,31H,12,14,25H2,1H3,(H,27,28).
What are the key properties of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol?
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol has a molecular weight of 410.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrazol-4-ol is sourced from PubChem (CID 135857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).