7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole

C20H18ClN3 — CID 10042609

IUPAC7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole
SMILESCCn1ccc2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c21
InChIInChI=1S/C20H18ClN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-14,20H,2H2,1H3
InChIKeyNRBXJYYBRQNWRC-UHFFFAOYSA-N
MW335.84 g/mol
LogP5.15
Rot. Bonds4

About 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole

7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole (PubChem CID 10042609) has the molecular formula C20H18ClN3 and a molecular weight of 335.84 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole
PubChem CID10042609
Molecular FormulaC20H18ClN3
Molecular Weight335.84 g/mol
Exact Mass335.12
IUPAC Name7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole
SMILESCCn1ccc2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c21
InChIInChI=1S/C20H18ClN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-14,20H,2H2,1H3
InChIKeyNRBXJYYBRQNWRC-UHFFFAOYSA-N
XLogP5.15
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.84
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole?
The IUPAC name of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole (CID 10042609) is 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole.
What is the SMILES notation for 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole?
The canonical SMILES for 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole is CCn1ccc2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c21.
What is the InChIKey of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole?
The InChIKey is NRBXJYYBRQNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-14,20H,2H2,1H3.
What are the key properties of 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole?
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole has a molecular weight of 335.84 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-ethylindole is sourced from PubChem (CID 10042609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).