N-benzyl-1H-imidazol-2-amine

C10H11N3 — CID 12847936

IUPACN-benzyl-1H-imidazol-2-amine
SMILESc1ccc(CNc2ncc[nH]2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-7H,8H2,(H2,11,12,13)
InChIKeyPTNWKQXEYUQQCU-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.02
Rot. Bonds3

About N-benzyl-1H-imidazol-2-amine

N-benzyl-1H-imidazol-2-amine (PubChem CID 12847936) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-benzyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-1H-imidazol-2-amine
PubChem CID12847936
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-benzyl-1H-imidazol-2-amine
SMILESc1ccc(CNc2ncc[nH]2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-7H,8H2,(H2,11,12,13)
InChIKeyPTNWKQXEYUQQCU-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-imidazol-2-amine?
The IUPAC name of N-benzyl-1H-imidazol-2-amine (CID 12847936) is N-benzyl-1H-imidazol-2-amine.
What is the SMILES notation for N-benzyl-1H-imidazol-2-amine?
The canonical SMILES for N-benzyl-1H-imidazol-2-amine is c1ccc(CNc2ncc[nH]2)cc1.
What is the InChIKey of N-benzyl-1H-imidazol-2-amine?
The InChIKey is PTNWKQXEYUQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-7H,8H2,(H2,11,12,13).
What are the key properties of N-benzyl-1H-imidazol-2-amine?
N-benzyl-1H-imidazol-2-amine has a molecular weight of 173.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-imidazol-2-amine is sourced from PubChem (CID 12847936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).