N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide

C17H16BrN3O2 — CID 1183113

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
SMILESO=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKeyXWFRNTHGPRGCNS-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide (PubChem CID 1183113) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
PubChem CID1183113
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
SMILESO=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKeyXWFRNTHGPRGCNS-UHFFFAOYSA-N
XLogP3.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide (CID 1183113) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide is O=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide?
The InChIKey is XWFRNTHGPRGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide has a molecular weight of 374.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide is sourced from PubChem (CID 1183113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).