2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole

C22H30N6 — CID 46991593

IUPAC2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CN2CCC(n3cc(C4CC4)nn3)CC2)nc2ccccc21
InChIInChI=1S/C22H30N6/c1-16(2)13-27-21-6-4-3-5-19(21)23-22(27)15-26-11-9-18(10-12-26)28-14-20(24-25-28)17-7-8-17/h3-6,14,16-18H,7-13,15H2,1-2H3
InChIKeyOEDRJVNCKOTNOL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.00
Rot. Bonds6

About 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole

2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 46991593) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
PubChem CID46991593
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CN2CCC(n3cc(C4CC4)nn3)CC2)nc2ccccc21
InChIInChI=1S/C22H30N6/c1-16(2)13-27-21-6-4-3-5-19(21)23-22(27)15-26-11-9-18(10-12-26)28-14-20(24-25-28)17-7-8-17/h3-6,14,16-18H,7-13,15H2,1-2H3
InChIKeyOEDRJVNCKOTNOL-UHFFFAOYSA-N
XLogP4.00
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole (CID 46991593) is 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(CN2CCC(n3cc(C4CC4)nn3)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is OEDRJVNCKOTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-16(2)13-27-21-6-4-3-5-19(21)23-22(27)15-26-11-9-18(10-12-26)28-14-20(24-25-28)17-7-8-17/h3-6,14,16-18H,7-13,15H2,1-2H3.
What are the key properties of 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole?
2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 378.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 46991593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).