N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide

C21H23BrN4O — CID 1462274

IUPACN-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C21H23BrN4O/c1-15-23-19-8-4-5-9-20(19)26(15)16-10-12-25(13-11-16)14-21(27)24-18-7-3-2-6-17(18)22/h2-9,16H,10-14H2,1H3,(H,24,27)
InChIKeyWOSAORHVEAJOFC-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.38
Rot. Bonds4

About N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide

N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1462274) has the molecular formula C21H23BrN4O and a molecular weight of 427.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1462274
Molecular FormulaC21H23BrN4O
Molecular Weight427.35 g/mol
Exact Mass426.11
IUPAC NameN-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C21H23BrN4O/c1-15-23-19-8-4-5-9-20(19)26(15)16-10-12-25(13-11-16)14-21(27)24-18-7-3-2-6-17(18)22/h2-9,16H,10-14H2,1H3,(H,24,27)
InChIKeyWOSAORHVEAJOFC-UHFFFAOYSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide (CID 1462274) is N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide is Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is WOSAORHVEAJOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O/c1-15-23-19-8-4-5-9-20(19)26(15)16-10-12-25(13-11-16)14-21(27)24-18-7-3-2-6-17(18)22/h2-9,16H,10-14H2,1H3,(H,24,27).
What are the key properties of N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 427.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1462274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).