N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide

C22H25N5O2 — CID 2968676

IUPACN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide
SMILESCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1
InChIInChI=1S/C22H25N5O2/c1-16(28)27-12-10-26(11-13-27)15-21-24-19-14-18(8-9-20(19)25(21)2)23-22(29)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,29)
InChIKeyXTKPKFYSXMSXHE-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.49
Rot. Bonds4

About N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide

N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide (PubChem CID 2968676) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide
PubChem CID2968676
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide
SMILESCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1
InChIInChI=1S/C22H25N5O2/c1-16(28)27-12-10-26(11-13-27)15-21-24-19-14-18(8-9-20(19)25(21)2)23-22(29)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,29)
InChIKeyXTKPKFYSXMSXHE-UHFFFAOYSA-N
XLogP2.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide (CID 2968676) is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide is CC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1.
What is the InChIKey of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide?
The InChIKey is XTKPKFYSXMSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(28)27-12-10-26(11-13-27)15-21-24-19-14-18(8-9-20(19)25(21)2)23-22(29)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,29).
What are the key properties of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide?
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide is sourced from PubChem (CID 2968676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).