4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide

C19H28N6O2 — CID 119064849

IUPAC4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)CN1CCN(C(=O)NCCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C19H28N6O2/c1-22(2)18(26)14-24-10-12-25(13-11-24)19(27)20-9-8-17-21-15-6-4-5-7-16(15)23(17)3/h4-7H,8-14H2,1-3H3,(H,20,27)
InChIKeyHKYMFEFLTKEMEQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.53
Rot. Bonds5

About 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide

4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 119064849) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID119064849
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)CN1CCN(C(=O)NCCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C19H28N6O2/c1-22(2)18(26)14-24-10-12-25(13-11-24)19(27)20-9-8-17-21-15-6-4-5-7-16(15)23(17)3/h4-7H,8-14H2,1-3H3,(H,20,27)
InChIKeyHKYMFEFLTKEMEQ-UHFFFAOYSA-N
XLogP0.53
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 119064362
4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 166195946
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 119072160
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72927891
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
(1S,6R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide;dihydrochloride
CID 154905048
(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 126440693

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide (CID 119064849) is 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide is CN(C)C(=O)CN1CCN(C(=O)NCCc2nc3ccccc3n2C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is HKYMFEFLTKEMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-22(2)18(26)14-24-10-12-25(13-11-24)19(27)20-9-8-17-21-15-6-4-5-7-16(15)23(17)3/h4-7H,8-14H2,1-3H3,(H,20,27).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide?
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 119064849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).