7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole

C17H14BrN3 — CID 114716150

IUPAC7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESBrc1cccc(-n2cncc2-c2cccc3c2NCC3)c1
InChIInChI=1S/C17H14BrN3/c18-13-4-2-5-14(9-13)21-11-19-10-16(21)15-6-1-3-12-7-8-20-17(12)15/h1-6,9-11,20H,7-8H2
InChIKeyRNYPHKHPILAWQO-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.27
Rot. Bonds2

About 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole

7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole (PubChem CID 114716150) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole
PubChem CID114716150
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC Name7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESBrc1cccc(-n2cncc2-c2cccc3c2NCC3)c1
InChIInChI=1S/C17H14BrN3/c18-13-4-2-5-14(9-13)21-11-19-10-16(21)15-6-1-3-12-7-8-20-17(12)15/h1-6,9-11,20H,7-8H2
InChIKeyRNYPHKHPILAWQO-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole (CID 114716150) is 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole is Brc1cccc(-n2cncc2-c2cccc3c2NCC3)c1.
What is the InChIKey of 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is RNYPHKHPILAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c18-13-4-2-5-14(9-13)21-11-19-10-16(21)15-6-1-3-12-7-8-20-17(12)15/h1-6,9-11,20H,7-8H2.
What are the key properties of 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole has a molecular weight of 340.22 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-bromophenyl)imidazol-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114716150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).