1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one

C18H24N4O2 — CID 110800078

IUPAC1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc3nc(CC)[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O2/c1-3-5-17(23)21-8-10-22(11-9-21)18(24)13-6-7-14-15(12-13)20-16(4-2)19-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,20)
InChIKeyARXBLGRIRDRQOZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.21
Rot. Bonds4

About 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one

1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 110800078) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID110800078
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc3nc(CC)[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O2/c1-3-5-17(23)21-8-10-22(11-9-21)18(24)13-6-7-14-15(12-13)20-16(4-2)19-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,20)
InChIKeyARXBLGRIRDRQOZ-UHFFFAOYSA-N
XLogP2.21
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814520
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
6-(4-butanoylpiperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110400115
1-(2-ethyl-3H-benzimidazol-5-yl)-2-ethylsulfanylethanone
CID 82052672
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 136538502
[4-[(1S,2S)-2-hydroxycyclohexyl]piperazin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
CID 74236011
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one (CID 110800078) is 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)c2ccc3nc(CC)[nH]c3c2)CC1.
What is the InChIKey of 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is ARXBLGRIRDRQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-5-17(23)21-8-10-22(11-9-21)18(24)13-6-7-14-15(12-13)20-16(4-2)19-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one?
1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110800078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).