3-(5-bromo-3-propylimidazol-4-yl)-1H-indole

C14H14BrN3 — CID 175082836

IUPAC3-(5-bromo-3-propylimidazol-4-yl)-1H-indole
SMILESCCCn1cnc(Br)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H14BrN3/c1-2-7-18-9-17-14(15)13(18)11-8-16-12-6-4-3-5-10(11)12/h3-6,8-9,16H,2,7H2,1H3
InChIKeyCNBNATVLBDCGCN-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.20
Rot. Bonds3

About 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole

3-(5-bromo-3-propylimidazol-4-yl)-1H-indole (PubChem CID 175082836) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(5-bromo-3-propylimidazol-4-yl)-1H-indole
PubChem CID175082836
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name3-(5-bromo-3-propylimidazol-4-yl)-1H-indole
SMILESCCCn1cnc(Br)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H14BrN3/c1-2-7-18-9-17-14(15)13(18)11-8-16-12-6-4-3-5-10(11)12/h3-6,8-9,16H,2,7H2,1H3
InChIKeyCNBNATVLBDCGCN-UHFFFAOYSA-N
XLogP4.20
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole?
The IUPAC name of 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole (CID 175082836) is 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole.
What is the SMILES notation for 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole?
The canonical SMILES for 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole is CCCn1cnc(Br)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole?
The InChIKey is CNBNATVLBDCGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-2-7-18-9-17-14(15)13(18)11-8-16-12-6-4-3-5-10(11)12/h3-6,8-9,16H,2,7H2,1H3.
What are the key properties of 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole?
3-(5-bromo-3-propylimidazol-4-yl)-1H-indole has a molecular weight of 304.19 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-propylimidazol-4-yl)-1H-indole is sourced from PubChem (CID 175082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).