1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole

C18H17ClN2 — CID 67751239

IUPAC1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
SMILESClc1ccc(Cn2cnc(CCc3ccccc3)c2)cc1
InChIInChI=1S/C18H17ClN2/c19-17-9-6-16(7-10-17)12-21-13-18(20-14-21)11-8-15-4-2-1-3-5-15/h1-7,9-10,13-14H,8,11-12H2
InChIKeyDIDIAKNXRMCKNY-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.37
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole

1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole (PubChem CID 67751239) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
PubChem CID67751239
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
SMILESClc1ccc(Cn2cnc(CCc3ccccc3)c2)cc1
InChIInChI=1S/C18H17ClN2/c19-17-9-6-16(7-10-17)12-21-13-18(20-14-21)11-8-15-4-2-1-3-5-15/h1-7,9-10,13-14H,8,11-12H2
InChIKeyDIDIAKNXRMCKNY-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole (CID 67751239) is 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole is Clc1ccc(Cn2cnc(CCc3ccccc3)c2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole?
The InChIKey is DIDIAKNXRMCKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c19-17-9-6-16(7-10-17)12-21-13-18(20-14-21)11-8-15-4-2-1-3-5-15/h1-7,9-10,13-14H,8,11-12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole?
1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole has a molecular weight of 296.80 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole is sourced from PubChem (CID 67751239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).