N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide

C17H24N6O2 — CID 119064362

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)CN1CCN(C(=O)NCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H24N6O2/c1-21(2)16(24)12-22-7-9-23(10-8-22)17(25)18-11-15-19-13-5-3-4-6-14(13)20-15/h3-6H,7-12H2,1-2H3,(H,18,25)(H,19,20)
InChIKeyCOWNTYHSHOFEEM-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.48
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 119064362) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID119064362
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)CN1CCN(C(=O)NCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H24N6O2/c1-21(2)16(24)12-22-7-9-23(10-8-22)17(25)18-11-15-19-13-5-3-4-6-14(13)20-15/h3-6H,7-12H2,1-2H3,(H,18,25)(H,19,20)
InChIKeyCOWNTYHSHOFEEM-UHFFFAOYSA-N
XLogP0.48
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 122571045
formic acid;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 154910271
N-(1H-benzimidazol-2-ylmethyl)-4-[(5-chloro-1H-indol-3-yl)methyl]piperazine-1-carboxamide
CID 147390716
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 119064849
4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 119059167
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 171909800
(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 125444272
2-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 59568220

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide (CID 119064362) is N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide is CN(C)C(=O)CN1CCN(C(=O)NCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is COWNTYHSHOFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)16(24)12-22-7-9-23(10-8-22)17(25)18-11-15-19-13-5-3-4-6-14(13)20-15/h3-6H,7-12H2,1-2H3,(H,18,25)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 119064362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).