4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole

C16H20N6 — CID 70723965

IUPAC4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
SMILESCc1ccc2[nH]c(-c3cn(C4CCNCC4)nn3)nc2c1C
InChIInChI=1S/C16H20N6/c1-10-3-4-13-15(11(10)2)19-16(18-13)14-9-22(21-20-14)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyGFDMSXIRGKRJAG-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.36
Rot. Bonds2

About 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole

4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole (PubChem CID 70723965) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
PubChem CID70723965
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
SMILESCc1ccc2[nH]c(-c3cn(C4CCNCC4)nn3)nc2c1C
InChIInChI=1S/C16H20N6/c1-10-3-4-13-15(11(10)2)19-16(18-13)14-9-22(21-20-14)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyGFDMSXIRGKRJAG-UHFFFAOYSA-N
XLogP2.36
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The IUPAC name of 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole (CID 70723965) is 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole is Cc1ccc2[nH]c(-c3cn(C4CCNCC4)nn3)nc2c1C.
What is the InChIKey of 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The InChIKey is GFDMSXIRGKRJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-10-3-4-13-15(11(10)2)19-16(18-13)14-9-22(21-20-14)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole has a molecular weight of 296.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 70723965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).