N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide

C22H27N5O — CID 171909800

IUPACN-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc2nc(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C22H27N5O/c1-17-8-9-19-20(14-17)24-21(23-19)15-26-10-12-27(13-11-26)16-22(28)25(2)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,24)
InChIKeyRQFNHYMXFRZABP-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.65
Rot. Bonds5

About N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide

N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 171909800) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID171909800
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc2nc(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C22H27N5O/c1-17-8-9-19-20(14-17)24-21(23-19)15-26-10-12-27(13-11-26)16-22(28)25(2)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,24)
InChIKeyRQFNHYMXFRZABP-UHFFFAOYSA-N
XLogP2.65
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 171909800) is N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide is Cc1ccc2nc(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is RQFNHYMXFRZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-8-9-19-20(14-17)24-21(23-19)15-26-10-12-27(13-11-26)16-22(28)25(2)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,24).
What are the key properties of N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 377.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 171909800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).