6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride

C22H20ClN5O — CID 54600615

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride
SMILESCl.c1cc2cc(-c3ccc4oc(C5=NCCN5)cc4c3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C22H19N5O.ClH/c1-2-15(21-23-5-6-24-21)11-18-14(1)10-17(27-18)13-3-4-19-16(9-13)12-20(28-19)22-25-7-8-26-22;/h1-4,9-12,27H,5-8H2,(H,23,24)(H,25,26);1H
InChIKeyLKBHOJNWZOCXEV-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.70
Rot. Bonds3

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride (PubChem CID 54600615) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride
PubChem CID54600615
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride
SMILESCl.c1cc2cc(-c3ccc4oc(C5=NCCN5)cc4c3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C22H19N5O.ClH/c1-2-15(21-23-5-6-24-21)11-18-14(1)10-17(27-18)13-3-4-19-16(9-13)12-20(28-19)22-25-7-8-26-22;/h1-4,9-12,27H,5-8H2,(H,23,24)(H,25,26);1H
InChIKeyLKBHOJNWZOCXEV-UHFFFAOYSA-N
XLogP3.70
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride (CID 54600615) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride is Cl.c1cc2cc(-c3ccc4oc(C5=NCCN5)cc4c3)[nH]c2cc1C1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride?
The InChIKey is LKBHOJNWZOCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.ClH/c1-2-15(21-23-5-6-24-21)11-18-14(1)10-17(27-18)13-3-4-19-16(9-13)12-20(28-19)22-25-7-8-26-22;/h1-4,9-12,27H,5-8H2,(H,23,24)(H,25,26);1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 54600615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).