3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C23H21N5O — CID 162657325

IUPAC3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1cccc(-c2ccc3nnc(-c4ccc5c(c4)ncn5C)n3c2)c1
InChIInChI=1S/C23H21N5O/c1-15(2)29-19-6-4-5-16(11-19)18-8-10-22-25-26-23(28(22)13-18)17-7-9-21-20(12-17)24-14-27(21)3/h4-15H,1-3H3
InChIKeyRELMENYKRAHVTM-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.74
Rot. Bonds4

About 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162657325) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162657325
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1cccc(-c2ccc3nnc(-c4ccc5c(c4)ncn5C)n3c2)c1
InChIInChI=1S/C23H21N5O/c1-15(2)29-19-6-4-5-16(11-19)18-8-10-22-25-26-23(28(22)13-18)17-7-9-21-20(12-17)24-14-27(21)3/h4-15H,1-3H3
InChIKeyRELMENYKRAHVTM-UHFFFAOYSA-N
XLogP4.74
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162657325) is 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Oc1cccc(-c2ccc3nnc(-c4ccc5c(c4)ncn5C)n3c2)c1.
What is the InChIKey of 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RELMENYKRAHVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15(2)29-19-6-4-5-16(11-19)18-8-10-22-25-26-23(28(22)13-18)17-7-9-21-20(12-17)24-14-27(21)3/h4-15H,1-3H3.
What are the key properties of 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 383.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-5-yl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162657325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).