2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide

C17H19BrN4O — CID 166306203

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
SMILESCc1ncc(CCNC(=O)Cn2c(C)c(Br)c3ccccc32)[nH]1
InChIInChI=1S/C17H19BrN4O/c1-11-17(18)14-5-3-4-6-15(14)22(11)10-16(23)19-8-7-13-9-20-12(2)21-13/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyPNALUSCTGODXDF-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.10
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 166306203) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
PubChem CID166306203
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
SMILESCc1ncc(CCNC(=O)Cn2c(C)c(Br)c3ccccc32)[nH]1
InChIInChI=1S/C17H19BrN4O/c1-11-17(18)14-5-3-4-6-15(14)22(11)10-16(23)19-8-7-13-9-20-12(2)21-13/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyPNALUSCTGODXDF-UHFFFAOYSA-N
XLogP3.10
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide (CID 166306203) is 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide is Cc1ncc(CCNC(=O)Cn2c(C)c(Br)c3ccccc32)[nH]1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is PNALUSCTGODXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-11-17(18)14-5-3-4-6-15(14)22(11)10-16(23)19-8-7-13-9-20-12(2)21-13/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 166306203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).