1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine

C13H13F2N5 — CID 106035579

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
SMILESCc1c(Cn2c(N)nc3ccc(F)c(F)c32)cnn1C
InChIInChI=1S/C13H13F2N5/c1-7-8(5-17-19(7)2)6-20-12-10(18-13(20)16)4-3-9(14)11(12)15/h3-5H,6H2,1-2H3,(H2,16,18)
InChIKeyLHXJNWYTXXXYED-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.99
Rot. Bonds2

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine

1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine (PubChem CID 106035579) has the molecular formula C13H13F2N5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
PubChem CID106035579
Molecular FormulaC13H13F2N5
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
SMILESCc1c(Cn2c(N)nc3ccc(F)c(F)c32)cnn1C
InChIInChI=1S/C13H13F2N5/c1-7-8(5-17-19(7)2)6-20-12-10(18-13(20)16)4-3-9(14)11(12)15/h3-5H,6H2,1-2H3,(H2,16,18)
InChIKeyLHXJNWYTXXXYED-UHFFFAOYSA-N
XLogP1.99
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine (CID 106035579) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine is Cc1c(Cn2c(N)nc3ccc(F)c(F)c32)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The InChIKey is LHXJNWYTXXXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5/c1-7-8(5-17-19(7)2)6-20-12-10(18-13(20)16)4-3-9(14)11(12)15/h3-5H,6H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 106035579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).