2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole

C15H10BrClN2 — CID 17391050

IUPAC2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole
SMILESCl/C(=C\c1cccc(Br)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H10BrClN2/c16-11-5-3-4-10(8-11)9-12(17)15-18-13-6-1-2-7-14(13)19-15/h1-9H,(H,18,19)/b12-9-
InChIKeyFMMSHXSNKMMPTD-XFXZXTDPSA-N
MW333.62 g/mol
LogP5.06
Rot. Bonds2

About 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole

2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole (PubChem CID 17391050) has the molecular formula C15H10BrClN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole
PubChem CID17391050
Molecular FormulaC15H10BrClN2
Molecular Weight333.62 g/mol
Exact Mass331.97
IUPAC Name2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole
SMILESCl/C(=C\c1cccc(Br)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H10BrClN2/c16-11-5-3-4-10(8-11)9-12(17)15-18-13-6-1-2-7-14(13)19-15/h1-9H,(H,18,19)/b12-9-
InChIKeyFMMSHXSNKMMPTD-XFXZXTDPSA-N
XLogP5.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole?
The IUPAC name of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole (CID 17391050) is 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole is Cl/C(=C\c1cccc(Br)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole?
The InChIKey is FMMSHXSNKMMPTD-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H10BrClN2/c16-11-5-3-4-10(8-11)9-12(17)15-18-13-6-1-2-7-14(13)19-15/h1-9H,(H,18,19)/b12-9-.
What are the key properties of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole?
2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole has a molecular weight of 333.62 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole is sourced from PubChem (CID 17391050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).