5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole

C18H14ClN3 — CID 11522408

IUPAC5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole
SMILESClc1ccc(C(c2ccc3[nH]ccc3c2)n2ccnc2)cc1
InChIInChI=1S/C18H14ClN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H
InChIKeyUBYSUZKGOKVEIR-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.66
Rot. Bonds3

About 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole

5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole (PubChem CID 11522408) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole
PubChem CID11522408
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC Name5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole
SMILESClc1ccc(C(c2ccc3[nH]ccc3c2)n2ccnc2)cc1
InChIInChI=1S/C18H14ClN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H
InChIKeyUBYSUZKGOKVEIR-UHFFFAOYSA-N
XLogP4.66
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole?
The IUPAC name of 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole (CID 11522408) is 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole.
What is the SMILES notation for 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole?
The canonical SMILES for 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole is Clc1ccc(C(c2ccc3[nH]ccc3c2)n2ccnc2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole?
The InChIKey is UBYSUZKGOKVEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H.
What are the key properties of 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole?
5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole has a molecular weight of 307.78 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1H-indole is sourced from PubChem (CID 11522408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).