N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride

C21H30ClN5O2 — CID 120877541

IUPACN-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
SMILESCCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-4-12-25(5-2)20(27)16-6-8-17(9-7-16)21(28)26-14-10-22-15-18(26)19-23-11-13-24(19)3;/h6-9,11,13,18,22H,4-5,10,12,14-15H2,1-3H3;1H
InChIKeyXWDQWIJFSBVKFJ-UHFFFAOYSA-N
MW419.96 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride

N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride (PubChem CID 120877541) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
PubChem CID120877541
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC NameN-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
SMILESCCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-4-12-25(5-2)20(27)16-6-8-17(9-7-16)21(28)26-14-10-22-15-18(26)19-23-11-13-24(19)3;/h6-9,11,13,18,22H,4-5,10,12,14-15H2,1-3H3;1H
InChIKeyXWDQWIJFSBVKFJ-UHFFFAOYSA-N
XLogP2.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120879889
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 120880036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride (CID 120877541) is N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride is CCCN(CC)C(=O)c1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl.
What is the InChIKey of N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
The InChIKey is XWDQWIJFSBVKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c1-4-12-25(5-2)20(27)16-6-8-17(9-7-16)21(28)26-14-10-22-15-18(26)19-23-11-13-24(19)3;/h6-9,11,13,18,22H,4-5,10,12,14-15H2,1-3H3;1H.
What are the key properties of N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride?
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 120877541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).