2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

C24H24BrN5OS — CID 10255760

IUPAC2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H24BrN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
InChIKeyHHCJCDRJLOXERL-UHFFFAOYSA-N
MW510.46 g/mol
LogP5.02
Rot. Bonds6

About 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 10255760) has the molecular formula C24H24BrN5OS and a molecular weight of 510.46 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID10255760
Molecular FormulaC24H24BrN5OS
Molecular Weight510.46 g/mol
Exact Mass509.09
IUPAC Name2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H24BrN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
InChIKeyHHCJCDRJLOXERL-UHFFFAOYSA-N
XLogP5.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (CID 10255760) is 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is O=C(Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is HHCJCDRJLOXERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 510.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 10255760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).