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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Related Compounds

2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
CID 4837781
2-(1H-benzimidazol-2-yl)-3-(3-bromophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 4552817
2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole
CID 9038876
2-[(Z)-1-chloro-2-[3-[(Z)-2-chloro-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenyl]ethenyl]-3H-quinazolin-4-one
CID 135868153
2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 6088566
(E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
CID 5291027
(Z)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
CID 92971882
[(E)-3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 137271605
6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
CID 87293067
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
2-[(2Z)-4-chlorohexa-2,4-dien-3-yl]-1H-benzimidazole
CID 123996924
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 86775933

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).