1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one

C18H20N4O2S — CID 18142015

IUPAC1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(CN2CCN(C(=O)c3cccs3)CC2)c2ccccc21
InChIInChI=1S/C18H20N4O2S/c1-19-14-5-2-3-6-15(14)22(18(19)24)13-20-8-10-21(11-9-20)17(23)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3
InChIKeyKVNIEPAFLWTLKG-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.82
Rot. Bonds3

About 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one

1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one (PubChem CID 18142015) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one
PubChem CID18142015
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(CN2CCN(C(=O)c3cccs3)CC2)c2ccccc21
InChIInChI=1S/C18H20N4O2S/c1-19-14-5-2-3-6-15(14)22(18(19)24)13-20-8-10-21(11-9-20)17(23)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3
InChIKeyKVNIEPAFLWTLKG-UHFFFAOYSA-N
XLogP1.82
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
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1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9331419
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
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[4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18191214
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
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2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 78809997
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one (CID 18142015) is 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one is Cn1c(=O)n(CN2CCN(C(=O)c3cccs3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one?
The InChIKey is KVNIEPAFLWTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-19-14-5-2-3-6-15(14)22(18(19)24)13-20-8-10-21(11-9-20)17(23)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one?
1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one has a molecular weight of 356.45 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 18142015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).