6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole

C19H26ClN7 — CID 43815881

IUPAC6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCC(C)(C)n1nnnc1CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C19H26ClN7/c1-4-19(2,3)27-17(23-24-25-27)12-26-9-7-13(8-10-26)18-21-15-6-5-14(20)11-16(15)22-18/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,22)
InChIKeyYILSZJZBIKTMHV-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.73
Rot. Bonds5

About 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole

6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 43815881) has the molecular formula C19H26ClN7 and a molecular weight of 387.92 g/mol. Its IUPAC name is 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID43815881
Molecular FormulaC19H26ClN7
Molecular Weight387.92 g/mol
Exact Mass387.19
IUPAC Name6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCC(C)(C)n1nnnc1CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C19H26ClN7/c1-4-19(2,3)27-17(23-24-25-27)12-26-9-7-13(8-10-26)18-21-15-6-5-14(20)11-16(15)22-18/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,22)
InChIKeyYILSZJZBIKTMHV-UHFFFAOYSA-N
XLogP3.73
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole (CID 43815881) is 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole is CCC(C)(C)n1nnnc1CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is YILSZJZBIKTMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7/c1-4-19(2,3)27-17(23-24-25-27)12-26-9-7-13(8-10-26)18-21-15-6-5-14(20)11-16(15)22-18/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,22).
What are the key properties of 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 387.92 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 43815881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).