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

C13H12F2N4 — CID 115616694

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole
SMILESCCn1ccnc1Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C13H12F2N4/c1-2-18-4-3-16-13(18)7-19-8-17-11-5-9(14)10(15)6-12(11)19/h3-6,8H,2,7H2,1H3
InChIKeyQBKVZKGMSUEUEP-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.58
Rot. Bonds3

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

1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole (PubChem CID 115616694) has the molecular formula C13H12F2N4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole
PubChem CID115616694
Molecular FormulaC13H12F2N4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole
SMILESCCn1ccnc1Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C13H12F2N4/c1-2-18-4-3-16-13(18)7-19-8-17-11-5-9(14)10(15)6-12(11)19/h3-6,8H,2,7H2,1H3
InChIKeyQBKVZKGMSUEUEP-UHFFFAOYSA-N
XLogP2.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole (CID 115616694) is 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole is CCn1ccnc1Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole?
The InChIKey is QBKVZKGMSUEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4/c1-2-18-4-3-16-13(18)7-19-8-17-11-5-9(14)10(15)6-12(11)19/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole?
1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole has a molecular weight of 262.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole is sourced from PubChem (CID 115616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).