methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate

C15H10BrClN2O2 — CID 91686704

IUPACmethyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(-c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C15H10BrClN2O2/c1-21-15(20)9-6-11(17)13-12(7-9)18-14(19-13)8-3-2-4-10(16)5-8/h2-7H,1H3,(H,18,19)
InChIKeyJUVODQRHYYEKJV-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.43
Rot. Bonds2

About methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate

methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate (PubChem CID 91686704) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
PubChem CID91686704
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Namemethyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(-c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C15H10BrClN2O2/c1-21-15(20)9-6-11(17)13-12(7-9)18-14(19-13)8-3-2-4-10(16)5-8/h2-7H,1H3,(H,18,19)
InChIKeyJUVODQRHYYEKJV-UHFFFAOYSA-N
XLogP4.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate (CID 91686704) is methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate is COC(=O)c1cc(Cl)c2nc(-c3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate?
The InChIKey is JUVODQRHYYEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c1-21-15(20)9-6-11(17)13-12(7-9)18-14(19-13)8-3-2-4-10(16)5-8/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate?
methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate has a molecular weight of 365.61 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 91686704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).