2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole

C9H6BrClF2N2O — CID 131497083

IUPAC2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
SMILESFC(F)Oc1cc(Cl)cc2[nH]c(CBr)nc12
InChIInChI=1S/C9H6BrClF2N2O/c10-3-7-14-5-1-4(11)2-6(8(5)15-7)16-9(12)13/h1-2,9H,3H2,(H,14,15)
InChIKeyZBCPSIDDMAVHND-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.71
Rot. Bonds3

About 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole

2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole (PubChem CID 131497083) has the molecular formula C9H6BrClF2N2O and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
PubChem CID131497083
Molecular FormulaC9H6BrClF2N2O
Molecular Weight311.51 g/mol
Exact Mass309.93
IUPAC Name2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
SMILESFC(F)Oc1cc(Cl)cc2[nH]c(CBr)nc12
InChIInChI=1S/C9H6BrClF2N2O/c10-3-7-14-5-1-4(11)2-6(8(5)15-7)16-9(12)13/h1-2,9H,3H2,(H,14,15)
InChIKeyZBCPSIDDMAVHND-UHFFFAOYSA-N
XLogP3.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole
CID 141359482
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
CID 115647651
2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
CID 131474624
[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
CID 82184463
4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole
CID 91686358
2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
CID 119005912
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
5-chloro-6-(difluoromethoxy)-1H-indazole
CID 171662371
4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole
CID 161460001
ethyl 2-[6-chloro-4-(1-hydroxyethyl)-1H-benzimidazol-2-yl]acetate
CID 171504478

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole?
The IUPAC name of 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole (CID 131497083) is 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole.
What is the SMILES notation for 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole?
The canonical SMILES for 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole is FC(F)Oc1cc(Cl)cc2[nH]c(CBr)nc12.
What is the InChIKey of 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole?
The InChIKey is ZBCPSIDDMAVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2N2O/c10-3-7-14-5-1-4(11)2-6(8(5)15-7)16-9(12)13/h1-2,9H,3H2,(H,14,15).
What are the key properties of 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole?
2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole has a molecular weight of 311.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole is sourced from PubChem (CID 131497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).