6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole

C15H17ClN6 — CID 70747994

IUPAC6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
SMILESCc1cc(Cl)cc2[nH]c(-c3cn(C4CCNCC4)nn3)nc12
InChIInChI=1S/C15H17ClN6/c1-9-6-10(16)7-12-14(9)19-15(18-12)13-8-22(21-20-13)11-2-4-17-5-3-11/h6-8,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyQBGWEVVXHRUFQT-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.71
Rot. Bonds2

About 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole

6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole (PubChem CID 70747994) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
PubChem CID70747994
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
SMILESCc1cc(Cl)cc2[nH]c(-c3cn(C4CCNCC4)nn3)nc12
InChIInChI=1S/C15H17ClN6/c1-9-6-10(16)7-12-14(9)19-15(18-12)13-8-22(21-20-13)11-2-4-17-5-3-11/h6-8,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyQBGWEVVXHRUFQT-UHFFFAOYSA-N
XLogP2.71
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole (CID 70747994) is 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole is Cc1cc(Cl)cc2[nH]c(-c3cn(C4CCNCC4)nn3)nc12.
What is the InChIKey of 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
The InChIKey is QBGWEVVXHRUFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-9-6-10(16)7-12-14(9)19-15(18-12)13-8-22(21-20-13)11-2-4-17-5-3-11/h6-8,11,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole?
6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole has a molecular weight of 316.80 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 70747994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).