N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine

C16H19FN6 — CID 56887121

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine
SMILESCN(Cc1cc2n(n1)CCNC2)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H19FN6/c1-22(9-12-7-13-8-18-4-5-23(13)21-12)10-16-19-14-3-2-11(17)6-15(14)20-16/h2-3,6-7,18H,4-5,8-10H2,1H3,(H,19,20)
InChIKeyBHPNTNBEVISPMG-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.63
Rot. Bonds4

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine (PubChem CID 56887121) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine
PubChem CID56887121
Molecular FormulaC16H19FN6
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine
SMILESCN(Cc1cc2n(n1)CCNC2)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H19FN6/c1-22(9-12-7-13-8-18-4-5-23(13)21-12)10-16-19-14-3-2-11(17)6-15(14)20-16/h2-3,6-7,18H,4-5,8-10H2,1H3,(H,19,20)
InChIKeyBHPNTNBEVISPMG-UHFFFAOYSA-N
XLogP1.63
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine (CID 56887121) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine is CN(Cc1cc2n(n1)CCNC2)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine?
The InChIKey is BHPNTNBEVISPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6/c1-22(9-12-7-13-8-18-4-5-23(13)21-12)10-16-19-14-3-2-11(17)6-15(14)20-16/h2-3,6-7,18H,4-5,8-10H2,1H3,(H,19,20).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine has a molecular weight of 314.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanamine is sourced from PubChem (CID 56887121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).