2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine

C14H9BrCl2N4 — CID 177117735

IUPAC2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine
SMILESClc1ccc(-c2nc(Br)cn2Cc2ncc(Cl)cn2)cc1
InChIInChI=1S/C14H9BrCl2N4/c15-12-7-21(8-13-18-5-11(17)6-19-13)14(20-12)9-1-3-10(16)4-2-9/h1-7H,8H2
InChIKeyLVSNCPZFNWWDGW-UHFFFAOYSA-N
MW384.06 g/mol
LogP4.46
Rot. Bonds3

About 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine

2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine (PubChem CID 177117735) has the molecular formula C14H9BrCl2N4 and a molecular weight of 384.06 g/mol. Its IUPAC name is 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine.

Molecular Properties

Compound Name2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine
PubChem CID177117735
Molecular FormulaC14H9BrCl2N4
Molecular Weight384.06 g/mol
Exact Mass381.94
IUPAC Name2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine
SMILESClc1ccc(-c2nc(Br)cn2Cc2ncc(Cl)cn2)cc1
InChIInChI=1S/C14H9BrCl2N4/c15-12-7-21(8-13-18-5-11(17)6-19-13)14(20-12)9-1-3-10(16)4-2-9/h1-7H,8H2
InChIKeyLVSNCPZFNWWDGW-UHFFFAOYSA-N
XLogP4.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine?
The IUPAC name of 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine (CID 177117735) is 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine.
What is the SMILES notation for 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine?
The canonical SMILES for 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine is Clc1ccc(-c2nc(Br)cn2Cc2ncc(Cl)cn2)cc1.
What is the InChIKey of 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine?
The InChIKey is LVSNCPZFNWWDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N4/c15-12-7-21(8-13-18-5-11(17)6-19-13)14(20-12)9-1-3-10(16)4-2-9/h1-7H,8H2.
What are the key properties of 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine?
2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine has a molecular weight of 384.06 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine is sourced from PubChem (CID 177117735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).