N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

C20H28ClN5O — CID 90561773

IUPACN-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCCc1nccn1CCN1CCN(CC(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C20H28ClN5O/c1-2-19-22-7-8-26(19)14-13-24-9-11-25(12-10-24)16-20(27)23-15-17-5-3-4-6-18(17)21/h3-8H,2,9-16H2,1H3,(H,23,27)
InChIKeySMSKXAZOCMLWFJ-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.03
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90561773) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID90561773
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCCc1nccn1CCN1CCN(CC(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C20H28ClN5O/c1-2-19-22-7-8-26(19)14-13-24-9-11-25(12-10-24)16-20(27)23-15-17-5-3-4-6-18(17)21/h3-8H,2,9-16H2,1H3,(H,23,27)
InChIKeySMSKXAZOCMLWFJ-UHFFFAOYSA-N
XLogP2.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 122558206
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90561775
2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 171336093
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90561773) is N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is CCc1nccn1CCN1CCN(CC(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is SMSKXAZOCMLWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-2-19-22-7-8-26(19)14-13-24-9-11-25(12-10-24)16-20(27)23-15-17-5-3-4-6-18(17)21/h3-8H,2,9-16H2,1H3,(H,23,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 389.93 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90561773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).