1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

C19H18FN3O2S — CID 70726537

IUPAC1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cs1
InChIInChI=1S/C19H18FN3O2S/c1-11(24)17-8-13(10-26-17)19(25)23-6-4-12(5-7-23)18-21-15-3-2-14(20)9-16(15)22-18/h2-3,8-10,12H,4-7H2,1H3,(H,21,22)
InChIKeyGEHCQHSDLGHVCA-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.99
Rot. Bonds3

About 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 70726537) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID70726537
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cs1
InChIInChI=1S/C19H18FN3O2S/c1-11(24)17-8-13(10-26-17)19(25)23-6-4-12(5-7-23)18-21-15-3-2-14(20)9-16(15)22-18/h2-3,8-10,12H,4-7H2,1H3,(H,21,22)
InChIKeyGEHCQHSDLGHVCA-UHFFFAOYSA-N
XLogP3.99
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 118782789
[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56905261
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 166618672
methyl 2-[1-(4-phenylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate
CID 58494549
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 70726537) is 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cs1.
What is the InChIKey of 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is GEHCQHSDLGHVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-11(24)17-8-13(10-26-17)19(25)23-6-4-12(5-7-23)18-21-15-3-2-14(20)9-16(15)22-18/h2-3,8-10,12H,4-7H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 70726537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).