1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole

C14H9ClF2N2 — CID 31788167

IUPAC1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
SMILESFc1cc2ncn(Cc3ccccc3Cl)c2cc1F
InChIInChI=1S/C14H9ClF2N2/c15-10-4-2-1-3-9(10)7-19-8-18-13-5-11(16)12(17)6-14(13)19/h1-6,8H,7H2
InChIKeyRJFZWGOQWFVKAP-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.02
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole

1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole (PubChem CID 31788167) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
PubChem CID31788167
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
SMILESFc1cc2ncn(Cc3ccccc3Cl)c2cc1F
InChIInChI=1S/C14H9ClF2N2/c15-10-4-2-1-3-9(10)7-19-8-18-13-5-11(16)12(17)6-14(13)19/h1-6,8H,7H2
InChIKeyRJFZWGOQWFVKAP-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole (CID 31788167) is 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole is Fc1cc2ncn(Cc3ccccc3Cl)c2cc1F.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole?
The InChIKey is RJFZWGOQWFVKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-10-4-2-1-3-9(10)7-19-8-18-13-5-11(16)12(17)6-14(13)19/h1-6,8H,7H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole?
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole has a molecular weight of 278.69 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole is sourced from PubChem (CID 31788167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).