N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide

C19H26ClN5O — CID 91420366

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(C(C)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)[nH]1
InChIInChI=1S/C19H26ClN5O/c1-14-13-22-18(23-14)15(2)19(26)21-6-7-24-8-10-25(11-9-24)17-5-3-4-16(20)12-17/h3-5,12-13,15H,6-11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyICZYBCDKXZSEMA-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide (PubChem CID 91420366) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide
PubChem CID91420366
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(C(C)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)[nH]1
InChIInChI=1S/C19H26ClN5O/c1-14-13-22-18(23-14)15(2)19(26)21-6-7-24-8-10-25(11-9-24)17-5-3-4-16(20)12-17/h3-5,12-13,15H,6-11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyICZYBCDKXZSEMA-UHFFFAOYSA-N
XLogP2.41
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 44595919
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
4-(3-chlorophenyl)-N'-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide
CID 111186935
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
CID 119903745
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1443705
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965356
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089588
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide (CID 91420366) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide is Cc1cnc(C(C)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)[nH]1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide?
The InChIKey is ICZYBCDKXZSEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-14-13-22-18(23-14)15(2)19(26)21-6-7-24-8-10-25(11-9-24)17-5-3-4-16(20)12-17/h3-5,12-13,15H,6-11H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide has a molecular weight of 375.90 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 91420366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).