5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole

C16H20N6 — CID 70748771

IUPAC5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
SMILESCc1cc2nc(-c3cn(C4CCNCC4)nn3)[nH]c2cc1C
InChIInChI=1S/C16H20N6/c1-10-7-13-14(8-11(10)2)19-16(18-13)15-9-22(21-20-15)12-3-5-17-6-4-12/h7-9,12,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyQZHBFWTXMDBNOD-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.36
Rot. Bonds2

About 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole

5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole (PubChem CID 70748771) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
PubChem CID70748771
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
SMILESCc1cc2nc(-c3cn(C4CCNCC4)nn3)[nH]c2cc1C
InChIInChI=1S/C16H20N6/c1-10-7-13-14(8-11(10)2)19-16(18-13)15-9-22(21-20-15)12-3-5-17-6-4-12/h7-9,12,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyQZHBFWTXMDBNOD-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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Related Compounds

6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70747994
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
CID 155973122
2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
CID 154896676
3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole
CID 146448623
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
4-[1-(4-methylcyclohexyl)triazol-4-yl]piperidine
CID 177025421
4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70780562
6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 50923878
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one;hydrochloride
CID 139654914

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole (CID 70748771) is 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole is Cc1cc2nc(-c3cn(C4CCNCC4)nn3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The InChIKey is QZHBFWTXMDBNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-10-7-13-14(8-11(10)2)19-16(18-13)15-9-22(21-20-15)12-3-5-17-6-4-12/h7-9,12,17H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
5,6-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 5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 70748771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).