[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone

C20H15BrN4O — CID 14168300

IUPAC[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(C1=NCC(c2c[nH]c3cc(Br)ccc23)N1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,24,25)
InChIKeyBYNAFSYAUGRDSZ-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.34
Rot. Bonds3

About [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone

[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 14168300) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
PubChem CID14168300
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(C1=NCC(c2c[nH]c3cc(Br)ccc23)N1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,24,25)
InChIKeyBYNAFSYAUGRDSZ-UHFFFAOYSA-N
XLogP4.34
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone (CID 14168300) is [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone is O=C(C1=NCC(c2c[nH]c3cc(Br)ccc23)N1)c1c[nH]c2ccccc12.
What is the InChIKey of [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is BYNAFSYAUGRDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-9,18,22-23H,10H2,(H,24,25).
What are the key properties of [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 407.27 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 14168300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).