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

C24H22ClN5O — CID 54600485

IUPAC5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride
SMILESC(=C\c1cc2ccc(C3=NCCN3)cc2o1)\c1cc2cc(C3=NCCN3)ccc2[nH]1.Cl
InChIInChI=1S/C24H21N5O.ClH/c1-2-17(24-27-9-10-28-24)14-22-15(1)13-20(30-22)5-4-19-12-18-11-16(3-6-21(18)29-19)23-25-7-8-26-23;/h1-6,11-14,29H,7-10H2,(H,25,26)(H,27,28);1H/b5-4-;
InChIKeyADTGXXRCGUKARA-MKWAYWHRSA-N
MW431.93 g/mol
LogP4.21
Rot. Bonds4

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

5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride (PubChem CID 54600485) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride
PubChem CID54600485
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride
SMILESC(=C\c1cc2ccc(C3=NCCN3)cc2o1)\c1cc2cc(C3=NCCN3)ccc2[nH]1.Cl
InChIInChI=1S/C24H21N5O.ClH/c1-2-17(24-27-9-10-28-24)14-22-15(1)13-20(30-22)5-4-19-12-18-11-16(3-6-21(18)29-19)23-25-7-8-26-23;/h1-6,11-14,29H,7-10H2,(H,25,26)(H,27,28);1H/b5-4-;
InChIKeyADTGXXRCGUKARA-MKWAYWHRSA-N
XLogP4.21
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride (CID 54600485) is 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride is C(=C\c1cc2ccc(C3=NCCN3)cc2o1)\c1cc2cc(C3=NCCN3)ccc2[nH]1.Cl.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride?
The InChIKey is ADTGXXRCGUKARA-MKWAYWHRSA-N. The full InChI is InChI=1S/C24H21N5O.ClH/c1-2-17(24-27-9-10-28-24)14-22-15(1)13-20(30-22)5-4-19-12-18-11-16(3-6-21(18)29-19)23-25-7-8-26-23;/h1-6,11-14,29H,7-10H2,(H,25,26)(H,27,28);1H/b5-4-;.
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride?
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride has a molecular weight of 431.93 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indole;hydrochloride is sourced from PubChem (CID 54600485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).