3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide

About 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide

3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide (PubChem CID 3060029) has the molecular formula C22H27IN4O2 and a molecular weight of 506.39 g/mol. Its IUPAC name is 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide.

Molecular Properties

Compound Name	3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide
PubChem CID	3060029
Molecular Formula	C22H27IN4O2
Molecular Weight	506.39 g/mol
Exact Mass	506.12
IUPAC Name	3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide
SMILES	COc1ccc(-c2[nH]c3ccccc3c2CN(CCCO)C2=NCCN2)cc1.I
InChI	InChI=1S/C22H26N4O2.HI/c1-28-17-9-7-16(8-10-17)21-19(18-5-2-3-6-20(18)25-21)15-26(13-4-14-27)22-23-11-12-24-22;/h2-3,5-10,25,27H,4,11-15H2,1H3,(H,23,24);1H
InChIKey	CEBMKZVENMZZDH-UHFFFAOYSA-N
XLogP	3.61
TPSA	72.88 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.39
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'iodine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide?

The IUPAC name of 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide (CID 3060029) is 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide.

What is the SMILES notation for 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide?

The canonical SMILES for 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide is COc1ccc(-c2[nH]c3ccccc3c2CN(CCCO)C2=NCCN2)cc1.I.

What is the InChIKey of 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide?

The InChIKey is CEBMKZVENMZZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.HI/c1-28-17-9-7-16(8-10-17)21-19(18-5-2-3-6-20(18)25-21)15-26(13-4-14-27)22-23-11-12-24-22;/h2-3,5-10,25,27H,4,11-15H2,1H3,(H,23,24);1H.

What are the key properties of 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide?

3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide has a molecular weight of 506.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide is sourced from PubChem (CID 3060029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).