2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole

C16H11ClF2N2O — CID 6088566

IUPAC2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)Oc1ccccc1/C=C(\Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11ClF2N2O/c17-11(15-20-12-6-2-3-7-13(12)21-15)9-10-5-1-4-8-14(10)22-16(18)19/h1-9,16H,(H,20,21)/b11-9-
InChIKeyWDHGIDORPBDDQB-LUAWRHEFSA-N
MW320.73 g/mol
LogP4.90
Rot. Bonds4

About 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole

2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole (PubChem CID 6088566) has the molecular formula C16H11ClF2N2O and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
PubChem CID6088566
Molecular FormulaC16H11ClF2N2O
Molecular Weight320.73 g/mol
Exact Mass320.05
IUPAC Name2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)Oc1ccccc1/C=C(\Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11ClF2N2O/c17-11(15-20-12-6-2-3-7-13(12)21-15)9-10-5-1-4-8-14(10)22-16(18)19/h1-9,16H,(H,20,21)/b11-9-
InChIKeyWDHGIDORPBDDQB-LUAWRHEFSA-N
XLogP4.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole
CID 17391050
2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
CID 4837781
2-[(E)-1-(benzenesulfonyl)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-1H-benzimidazole
CID 25390538
2-(1H-benzimidazol-2-yl)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(1H-indol-3-yl)prop-2-en-1-one
CID 154759718
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283
N-(1H-benzimidazol-2-ylmethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78811558
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
(E)-2-(1H-benzimidazol-2-yl)-3-(2-butoxyphenyl)prop-2-enenitrile
CID 5291806
3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
CID 79330784
2-[(2Z)-4-chlorohexa-2,4-dien-3-yl]-1H-benzimidazole
CID 123996924
1-[2-(chloromethyl)but-1-enyl]-2-(difluoromethoxy)benzene
CID 79334225
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 167880656

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole (CID 6088566) is 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole is FC(F)Oc1ccccc1/C=C(\Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
The InChIKey is WDHGIDORPBDDQB-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H11ClF2N2O/c17-11(15-20-12-6-2-3-7-13(12)21-15)9-10-5-1-4-8-14(10)22-16(18)19/h1-9,16H,(H,20,21)/b11-9-.
What are the key properties of 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole?
2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole has a molecular weight of 320.73 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 6088566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).