1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole

C18H15BrN4 — CID 155537211

IUPAC1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole
SMILESBrc1ccc(Cn2c(Cn3ccnc3)nc3ccccc32)cc1
InChIInChI=1S/C18H15BrN4/c19-15-7-5-14(6-8-15)11-23-17-4-2-1-3-16(17)21-18(23)12-22-10-9-20-13-22/h1-10,13H,11-12H2
InChIKeyJPWVWOAGUCXZLR-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.09
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole

1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole (PubChem CID 155537211) has the molecular formula C18H15BrN4 and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole
PubChem CID155537211
Molecular FormulaC18H15BrN4
Molecular Weight367.25 g/mol
Exact Mass366.05
IUPAC Name1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole
SMILESBrc1ccc(Cn2c(Cn3ccnc3)nc3ccccc32)cc1
InChIInChI=1S/C18H15BrN4/c19-15-7-5-14(6-8-15)11-23-17-4-2-1-3-16(17)21-18(23)12-22-10-9-20-13-22/h1-10,13H,11-12H2
InChIKeyJPWVWOAGUCXZLR-UHFFFAOYSA-N
XLogP4.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole (CID 155537211) is 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole is Brc1ccc(Cn2c(Cn3ccnc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole?
The InChIKey is JPWVWOAGUCXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4/c19-15-7-5-14(6-8-15)11-23-17-4-2-1-3-16(17)21-18(23)12-22-10-9-20-13-22/h1-10,13H,11-12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole?
1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole has a molecular weight of 367.25 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-(imidazol-1-ylmethyl)benzimidazole is sourced from PubChem (CID 155537211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).