[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone

C17H16BrN3OS — CID 37437294

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H16BrN3OS/c18-15-9-12(10-23-15)17(22)21-7-5-11(6-8-21)16-19-13-3-1-2-4-14(13)20-16/h1-4,9-11H,5-8H2,(H,19,20)
InChIKeyHWWONEAEULRLOH-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.41
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone (PubChem CID 37437294) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
PubChem CID37437294
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H16BrN3OS/c18-15-9-12(10-23-15)17(22)21-7-5-11(6-8-21)16-19-13-3-1-2-4-14(13)20-16/h1-4,9-11H,5-8H2,(H,19,20)
InChIKeyHWWONEAEULRLOH-UHFFFAOYSA-N
XLogP4.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 46851674
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 38372032

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone (CID 37437294) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone is O=C(c1csc(Br)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
The InChIKey is HWWONEAEULRLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3OS/c18-15-9-12(10-23-15)17(22)21-7-5-11(6-8-21)16-19-13-3-1-2-4-14(13)20-16/h1-4,9-11H,5-8H2,(H,19,20).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone has a molecular weight of 390.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone is sourced from PubChem (CID 37437294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).