N-benzylimidazol-1-amine

C10H11N3 — CID 23018211

IUPACN-benzylimidazol-1-amine
SMILESc1ccc(CNn2ccnc2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-10(5-3-1)8-12-13-7-6-11-9-13/h1-7,9,12H,8H2
InChIKeyRIISVHUNHNVTLF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.63
Rot. Bonds3

About N-benzylimidazol-1-amine

N-benzylimidazol-1-amine (PubChem CID 23018211) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-benzylimidazol-1-amine.

Molecular Properties

Compound NameN-benzylimidazol-1-amine
PubChem CID23018211
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-benzylimidazol-1-amine
SMILESc1ccc(CNn2ccnc2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-10(5-3-1)8-12-13-7-6-11-9-13/h1-7,9,12H,8H2
InChIKeyRIISVHUNHNVTLF-UHFFFAOYSA-N
XLogP1.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylimidazol-1-amine?
The IUPAC name of N-benzylimidazol-1-amine (CID 23018211) is N-benzylimidazol-1-amine.
What is the SMILES notation for N-benzylimidazol-1-amine?
The canonical SMILES for N-benzylimidazol-1-amine is c1ccc(CNn2ccnc2)cc1.
What is the InChIKey of N-benzylimidazol-1-amine?
The InChIKey is RIISVHUNHNVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-10(5-3-1)8-12-13-7-6-11-9-13/h1-7,9,12H,8H2.
What are the key properties of N-benzylimidazol-1-amine?
N-benzylimidazol-1-amine has a molecular weight of 173.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylimidazol-1-amine is sourced from PubChem (CID 23018211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).