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

C19H27N5O — CID 44595919

IUPAC2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESCc1cnc(C(C)C(=O)NCCN2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C19H27N5O/c1-15-14-21-18(22-15)16(2)19(25)20-8-9-23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyDLGOAYYVKXXQML-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.76
Rot. Bonds6

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

2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (PubChem CID 44595919) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
PubChem CID44595919
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESCc1cnc(C(C)C(=O)NCCN2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C19H27N5O/c1-15-14-21-18(22-15)16(2)19(25)20-8-9-23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyDLGOAYYVKXXQML-UHFFFAOYSA-N
XLogP1.76
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(5-methyl-1H-imidazol-2-yl)propanamide
CID 91420366
N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide
CID 44595494
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 51964432
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46601953

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (CID 44595919) is 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is Cc1cnc(C(C)C(=O)NCCN2CCN(c3ccccc3)CC2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is DLGOAYYVKXXQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-14-21-18(22-15)16(2)19(25)20-8-9-23-10-12-24(13-11-23)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 341.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 44595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).