N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide

C19H25N5O2 — CID 46978566

IUPACN-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)CCN1
InChIInChI=1S/C19H25N5O2/c25-18-11-23(9-8-20-18)12-19(26)22-14-6-7-17-16(10-14)21-13-24(17)15-4-2-1-3-5-15/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,20,25)(H,22,26)
InChIKeyDTKABWJGZYQJLG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.91
Rot. Bonds4

About N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide

N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 46978566) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID46978566
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)CCN1
InChIInChI=1S/C19H25N5O2/c25-18-11-23(9-8-20-18)12-19(26)22-14-6-7-17-16(10-14)21-13-24(17)15-4-2-1-3-5-15/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,20,25)(H,22,26)
InChIKeyDTKABWJGZYQJLG-UHFFFAOYSA-N
XLogP1.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide (CID 46978566) is N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)CCN1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is DTKABWJGZYQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-18-11-23(9-8-20-18)12-19(26)22-14-6-7-17-16(10-14)21-13-24(17)15-4-2-1-3-5-15/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,20,25)(H,22,26).
What are the key properties of N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 46978566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).