N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide

C17H14FN5O — CID 90648663

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c2ccccc21
InChIInChI=1S/C17H14FN5O/c1-23-14-5-3-2-4-11(14)16(22-23)17(24)19-9-15-20-12-7-6-10(18)8-13(12)21-15/h2-8H,9H2,1H3,(H,19,24)(H,20,21)
InChIKeyUXODWCAAQOOSRU-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.52
Rot. Bonds3

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide (PubChem CID 90648663) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
PubChem CID90648663
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c2ccccc21
InChIInChI=1S/C17H14FN5O/c1-23-14-5-3-2-4-11(14)16(22-23)17(24)19-9-15-20-12-7-6-10(18)8-13(12)21-15/h2-8H,9H2,1H3,(H,19,24)(H,20,21)
InChIKeyUXODWCAAQOOSRU-UHFFFAOYSA-N
XLogP2.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide (CID 90648663) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c2ccccc21.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide?
The InChIKey is UXODWCAAQOOSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-23-14-5-3-2-4-11(14)16(22-23)17(24)19-9-15-20-12-7-6-10(18)8-13(12)21-15/h2-8H,9H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 90648663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).