6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole

C15H10BrClN2 — CID 87293067

IUPAC6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
SMILESCl/C(=C\c1nc2ccc(Br)cc2[nH]1)c1ccccc1
InChIInChI=1S/C15H10BrClN2/c16-11-6-7-13-14(8-11)19-15(18-13)9-12(17)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b12-9-
InChIKeyJJIGBYFYUBAHRU-XFXZXTDPSA-N
MW333.62 g/mol
LogP5.06
Rot. Bonds2

About 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole

6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole (PubChem CID 87293067) has the molecular formula C15H10BrClN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
PubChem CID87293067
Molecular FormulaC15H10BrClN2
Molecular Weight333.62 g/mol
Exact Mass331.97
IUPAC Name6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
SMILESCl/C(=C\c1nc2ccc(Br)cc2[nH]1)c1ccccc1
InChIInChI=1S/C15H10BrClN2/c16-11-6-7-13-14(8-11)19-15(18-13)9-12(17)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b12-9-
InChIKeyJJIGBYFYUBAHRU-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 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole (CID 87293067) is 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole is Cl/C(=C\c1nc2ccc(Br)cc2[nH]1)c1ccccc1.
What is the InChIKey of 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole?
The InChIKey is JJIGBYFYUBAHRU-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H10BrClN2/c16-11-6-7-13-14(8-11)19-15(18-13)9-12(17)10-4-2-1-3-5-10/h1-9H,(H,18,19)/b12-9-.
What are the key properties of 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole?
6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-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 6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole is sourced from PubChem (CID 87293067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).