2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine

C17H17N5 — CID 13255552

IUPAC2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine
SMILESc1ccc(Cn2cc3c(NC4=NCCN4)cccc3n2)cc1
InChIInChI=1S/C17H17N5/c1-2-5-13(6-3-1)11-22-12-14-15(7-4-8-16(14)21-22)20-17-18-9-10-19-17/h1-8,12H,9-11H2,(H2,18,19,20)
InChIKeyKJWOECSRASARND-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.46
Rot. Bonds3

About 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine

2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine (PubChem CID 13255552) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine
PubChem CID13255552
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine
SMILESc1ccc(Cn2cc3c(NC4=NCCN4)cccc3n2)cc1
InChIInChI=1S/C17H17N5/c1-2-5-13(6-3-1)11-22-12-14-15(7-4-8-16(14)21-22)20-17-18-9-10-19-17/h1-8,12H,9-11H2,(H2,18,19,20)
InChIKeyKJWOECSRASARND-UHFFFAOYSA-N
XLogP2.46
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine?
The IUPAC name of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine (CID 13255552) is 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine.
What is the SMILES notation for 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine?
The canonical SMILES for 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine is c1ccc(Cn2cc3c(NC4=NCCN4)cccc3n2)cc1.
What is the InChIKey of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine?
The InChIKey is KJWOECSRASARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-5-13(6-3-1)11-22-12-14-15(7-4-8-16(14)21-22)20-17-18-9-10-19-17/h1-8,12H,9-11H2,(H2,18,19,20).
What are the key properties of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine?
2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine has a molecular weight of 291.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine is sourced from PubChem (CID 13255552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).