N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

C23H27N7O — CID 645440

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H27N7O/c1-16-6-7-21-20(14-16)27-28-30(21)17-9-12-29(13-10-17)15-23(31)24-11-8-22-25-18-4-2-3-5-19(18)26-22/h2-7,14,17H,8-13,15H2,1H3,(H,24,31)(H,25,26)
InChIKeyRGUSHCRIRUXPCS-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 645440) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID645440
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H27N7O/c1-16-6-7-21-20(14-16)27-28-30(21)17-9-12-29(13-10-17)15-23(31)24-11-8-22-25-18-4-2-3-5-19(18)26-22/h2-7,14,17H,8-13,15H2,1H3,(H,24,31)(H,25,26)
InChIKeyRGUSHCRIRUXPCS-UHFFFAOYSA-N
XLogP2.61
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 645440) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is RGUSHCRIRUXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16-6-7-21-20(14-16)27-28-30(21)17-9-12-29(13-10-17)15-23(31)24-11-8-22-25-18-4-2-3-5-19(18)26-22/h2-7,14,17H,8-13,15H2,1H3,(H,24,31)(H,25,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 417.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 645440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).