3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol

C20H16N6O — CID 59276672

IUPAC3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
SMILESCc1nc2ccc(Nc3nc4cccc(-c5cccc(O)c5)n4n3)cc2[nH]1
InChIInChI=1S/C20H16N6O/c1-12-21-16-9-8-14(11-17(16)22-12)23-20-24-19-7-3-6-18(26(19)25-20)13-4-2-5-15(27)10-13/h2-11,27H,1H3,(H,21,22)(H,23,25)
InChIKeyHERWFWBREBDRID-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.03
Rot. Bonds3

About 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol

3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol (PubChem CID 59276672) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
PubChem CID59276672
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
SMILESCc1nc2ccc(Nc3nc4cccc(-c5cccc(O)c5)n4n3)cc2[nH]1
InChIInChI=1S/C20H16N6O/c1-12-21-16-9-8-14(11-17(16)22-12)23-20-24-19-7-3-6-18(26(19)25-20)13-4-2-5-15(27)10-13/h2-11,27H,1H3,(H,21,22)(H,23,25)
InChIKeyHERWFWBREBDRID-UHFFFAOYSA-N
XLogP4.03
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?
The IUPAC name of 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol (CID 59276672) is 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?
The canonical SMILES for 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol is Cc1nc2ccc(Nc3nc4cccc(-c5cccc(O)c5)n4n3)cc2[nH]1.
What is the InChIKey of 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?
The InChIKey is HERWFWBREBDRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-12-21-16-9-8-14(11-17(16)22-12)23-20-24-19-7-3-6-18(26(19)25-20)13-4-2-5-15(27)10-13/h2-11,27H,1H3,(H,21,22)(H,23,25).
What are the key properties of 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol?
3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol has a molecular weight of 356.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol is sourced from PubChem (CID 59276672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).