1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine

C14H15F2N5 — CID 115990853

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
SMILESCCc1nn(C)cc1Cn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H15F2N5/c1-3-10-8(6-20(2)19-10)7-21-13-11(18-14(21)17)5-4-9(15)12(13)16/h4-6H,3,7H2,1-2H3,(H2,17,18)
InChIKeyKAAIRAFWXQRFNL-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.24
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine (PubChem CID 115990853) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
PubChem CID115990853
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
SMILESCCc1nn(C)cc1Cn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H15F2N5/c1-3-10-8(6-20(2)19-10)7-21-13-11(18-14(21)17)5-4-9(15)12(13)16/h4-6H,3,7H2,1-2H3,(H2,17,18)
InChIKeyKAAIRAFWXQRFNL-UHFFFAOYSA-N
XLogP2.24
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106035579
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-iodobenzimidazol-2-amine
CID 115990863
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106302379
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
CID 62531704
3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
CID 104781283
methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
CID 62532038
6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
CID 62532411
6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine
CID 62533220
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278489

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine (CID 115990853) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine is CCc1nn(C)cc1Cn1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
The InChIKey is KAAIRAFWXQRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c1-3-10-8(6-20(2)19-10)7-21-13-11(18-14(21)17)5-4-9(15)12(13)16/h4-6H,3,7H2,1-2H3,(H2,17,18).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine has a molecular weight of 291.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 115990853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).