N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride

C16H23Cl2N5O2 — CID 122148337

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
SMILESCN(Cc1nc2ccccc2n1C)C(=O)CN1CCNCC1=O.Cl.Cl
InChIInChI=1S/C16H21N5O2.2ClH/c1-19(16(23)11-21-8-7-17-9-15(21)22)10-14-18-12-5-3-4-6-13(12)20(14)2;;/h3-6,17H,7-11H2,1-2H3;2*1H
InChIKeyIEGQQMUUKYFSPU-UHFFFAOYSA-N
MW388.30 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 122148337) has the molecular formula C16H23Cl2N5O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
PubChem CID122148337
Molecular FormulaC16H23Cl2N5O2
Molecular Weight388.30 g/mol
Exact Mass387.12
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
SMILESCN(Cc1nc2ccccc2n1C)C(=O)CN1CCNCC1=O.Cl.Cl
InChIInChI=1S/C16H21N5O2.2ClH/c1-19(16(23)11-21-8-7-17-9-15(21)22)10-14-18-12-5-3-4-6-13(12)20(14)2;;/h3-6,17H,7-11H2,1-2H3;2*1H
InChIKeyIEGQQMUUKYFSPU-UHFFFAOYSA-N
XLogP0.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
3-[2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
CID 71923300
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 124686566
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
N-methyl-2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62310011
N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 124685267
N,N-diethyl-2-(2-oxopiperazin-1-yl)acetamide
CID 62311999
4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941797
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride (CID 122148337) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride is CN(Cc1nc2ccccc2n1C)C(=O)CN1CCNCC1=O.Cl.Cl.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is IEGQQMUUKYFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.2ClH/c1-19(16(23)11-21-8-7-17-9-15(21)22)10-14-18-12-5-3-4-6-13(12)20(14)2;;/h3-6,17H,7-11H2,1-2H3;2*1H.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 122148337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).