1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine

C14H16FN5 — CID 62378133

IUPAC1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESCC(C)n1c(Cn2cc(N)cn2)nc2ccc(F)cc21
InChIInChI=1S/C14H16FN5/c1-9(2)20-13-5-10(15)3-4-12(13)18-14(20)8-19-7-11(16)6-17-19/h3-7,9H,8,16H2,1-2H3
InChIKeyVUKWREUPLDLDEE-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.58
Rot. Bonds3

About 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine

1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 62378133) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine
PubChem CID62378133
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESCC(C)n1c(Cn2cc(N)cn2)nc2ccc(F)cc21
InChIInChI=1S/C14H16FN5/c1-9(2)20-13-5-10(15)3-4-12(13)18-14(20)8-19-7-11(16)6-17-19/h3-7,9H,8,16H2,1-2H3
InChIKeyVUKWREUPLDLDEE-UHFFFAOYSA-N
XLogP2.58
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine (CID 62378133) is 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine is CC(C)n1c(Cn2cc(N)cn2)nc2ccc(F)cc21.
What is the InChIKey of 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is VUKWREUPLDLDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-9(2)20-13-5-10(15)3-4-12(13)18-14(20)8-19-7-11(16)6-17-19/h3-7,9H,8,16H2,1-2H3.
What are the key properties of 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine?
1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 273.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).