N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C20H28FN5O2 — CID 95707165

IUPACN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C20H28FN5O2/c1-4-25(9-7-18-23-15-6-5-14(21)11-16(15)24-18)19(27)12-17-20(28)22-8-10-26(17)13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3,(H,22,28)(H,23,24)/t17-/m1/s1
InChIKeyHMEKACKTVKAKKR-QGZVFWFLSA-N
MW389.48 g/mol
LogP1.69
Rot. Bonds7

About N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95707165) has the molecular formula C20H28FN5O2 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95707165
Molecular FormulaC20H28FN5O2
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC NameN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C20H28FN5O2/c1-4-25(9-7-18-23-15-6-5-14(21)11-16(15)24-18)19(27)12-17-20(28)22-8-10-26(17)13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3,(H,22,28)(H,23,24)/t17-/m1/s1
InChIKeyHMEKACKTVKAKKR-QGZVFWFLSA-N
XLogP1.69
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 56898752
(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
CID 163334571
1-ethyl-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 126431490
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95729488
2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91766350
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70782657
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45224119
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
CID 143212121
(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
CID 118760636
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 95204074
N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91783336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95707165) is N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C.
What is the InChIKey of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is HMEKACKTVKAKKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28FN5O2/c1-4-25(9-7-18-23-15-6-5-14(21)11-16(15)24-18)19(27)12-17-20(28)22-8-10-26(17)13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3,(H,22,28)(H,23,24)/t17-/m1/s1.
What are the key properties of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95707165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).