2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide

C22H27N5O — CID 56673048

IUPAC2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc3nc(-c4ccc(C)cc4)[nH]c3c2)CC1
InChIInChI=1S/C22H27N5O/c1-3-26-10-12-27(13-11-26)15-21(28)23-18-8-9-19-20(14-18)25-22(24-19)17-6-4-16(2)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyMZLNECVPMZOJAK-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 56673048) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID56673048
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc3nc(-c4ccc(C)cc4)[nH]c3c2)CC1
InChIInChI=1S/C22H27N5O/c1-3-26-10-12-27(13-11-26)15-21(28)23-18-8-9-19-20(14-18)25-22(24-19)17-6-4-16(2)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyMZLNECVPMZOJAK-UHFFFAOYSA-N
XLogP3.11
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55965099
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
CID 169357931
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55964966
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
CID 142813057
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide (CID 56673048) is 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide is CCN1CCN(CC(=O)Nc2ccc3nc(-c4ccc(C)cc4)[nH]c3c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is MZLNECVPMZOJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-26-10-12-27(13-11-26)15-21(28)23-18-8-9-19-20(14-18)25-22(24-19)17-6-4-16(2)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 56673048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).