1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide

C27H34N6O2 — CID 24755613

IUPAC1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide
SMILESCN1CCC(N2CCN(C(=O)CNC(=O)c3nc4ccccc4n3Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H34N6O2/c1-30-13-11-22(12-14-30)31-15-17-32(18-16-31)25(34)19-28-27(35)26-29-23-9-5-6-10-24(23)33(26)20-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,28,35)
InChIKeyGGFNJPZACRXIMC-UHFFFAOYSA-N
MW474.61 g/mol
LogP2.05
Rot. Bonds6

About 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide

1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide (PubChem CID 24755613) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide
PubChem CID24755613
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide
SMILESCN1CCC(N2CCN(C(=O)CNC(=O)c3nc4ccccc4n3Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H34N6O2/c1-30-13-11-22(12-14-30)31-15-17-32(18-16-31)25(34)19-28-27(35)26-29-23-9-5-6-10-24(23)33(26)20-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,28,35)
InChIKeyGGFNJPZACRXIMC-UHFFFAOYSA-N
XLogP2.05
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide (CID 24755613) is 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide is CN1CCC(N2CCN(C(=O)CNC(=O)c3nc4ccccc4n3Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide?
The InChIKey is GGFNJPZACRXIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-30-13-11-22(12-14-30)31-15-17-32(18-16-31)25(34)19-28-27(35)26-29-23-9-5-6-10-24(23)33(26)20-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,28,35).
What are the key properties of 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide?
1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 24755613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).