6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole

C23H18ClN3O — CID 45142030

IUPAC6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole
SMILESClc1ccc2cc(-c3ccc(Oc4ccc(C5=NCCN5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C23H18ClN3O/c24-18-6-1-17-13-21(27-22(17)14-18)15-2-7-19(8-3-15)28-20-9-4-16(5-10-20)23-25-11-12-26-23/h1-10,13-14,27H,11-12H2,(H,25,26)
InChIKeyGFILAVRAGCTHOK-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.63
Rot. Bonds4

About 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole

6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole (PubChem CID 45142030) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole
PubChem CID45142030
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole
SMILESClc1ccc2cc(-c3ccc(Oc4ccc(C5=NCCN5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C23H18ClN3O/c24-18-6-1-17-13-21(27-22(17)14-18)15-2-7-19(8-3-15)28-20-9-4-16(5-10-20)23-25-11-12-26-23/h1-10,13-14,27H,11-12H2,(H,25,26)
InChIKeyGFILAVRAGCTHOK-UHFFFAOYSA-N
XLogP5.63
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole?
The IUPAC name of 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole (CID 45142030) is 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole.
What is the SMILES notation for 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole?
The canonical SMILES for 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole is Clc1ccc2cc(-c3ccc(Oc4ccc(C5=NCCN5)cc4)cc3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole?
The InChIKey is GFILAVRAGCTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-18-6-1-17-13-21(27-22(17)14-18)15-2-7-19(8-3-15)28-20-9-4-16(5-10-20)23-25-11-12-26-23/h1-10,13-14,27H,11-12H2,(H,25,26).
What are the key properties of 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole?
6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole has a molecular weight of 387.87 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]-1H-indole is sourced from PubChem (CID 45142030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).