1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole

C16H10BrClN4 — CID 657893

IUPAC1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole
SMILESClC(Br)=C(n1cnc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C16H10BrClN4/c17-15(18)16(21-9-19-11-5-1-3-7-13(11)21)22-10-20-12-6-2-4-8-14(12)22/h1-10H
InChIKeyMNRSVPHXFPIBDW-UHFFFAOYSA-N
MW373.64 g/mol
LogP4.47
Rot. Bonds2

About 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole

1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole (PubChem CID 657893) has the molecular formula C16H10BrClN4 and a molecular weight of 373.64 g/mol. Its IUPAC name is 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole.

Molecular Properties

Compound Name1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole
PubChem CID657893
Molecular FormulaC16H10BrClN4
Molecular Weight373.64 g/mol
Exact Mass371.98
IUPAC Name1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole
SMILESClC(Br)=C(n1cnc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C16H10BrClN4/c17-15(18)16(21-9-19-11-5-1-3-7-13(11)21)22-10-20-12-6-2-4-8-14(12)22/h1-10H
InChIKeyMNRSVPHXFPIBDW-UHFFFAOYSA-N
XLogP4.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bromomethyl benzimidazole-1-carboxylate
CID 135347541
N-phenylbenzimidazole-1-carboxamide
CID 13125705
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
1-hydroxybenzimidazole;hydrate
CID 22048229
(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
CID 82344378
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006
1-(dichloromethyl)benzimidazole
CID 69189311
benzimidazol-1-yl(indazol-1-yl)methanone
CID 67255465
benzimidazol-1-yl(1,3-thiazol-4-yl)methanone
CID 110462180
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
CID 170698971

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole?
The IUPAC name of 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole (CID 657893) is 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole.
What is the SMILES notation for 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole?
The canonical SMILES for 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole is ClC(Br)=C(n1cnc2ccccc21)n1cnc2ccccc21.
What is the InChIKey of 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole?
The InChIKey is MNRSVPHXFPIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN4/c17-15(18)16(21-9-19-11-5-1-3-7-13(11)21)22-10-20-12-6-2-4-8-14(12)22/h1-10H.
What are the key properties of 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole?
1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole has a molecular weight of 373.64 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole is sourced from PubChem (CID 657893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).