N-benzyl-4,5-dihydro-1H-imidazol-2-amine

C10H13N3 — CID 18432815

IUPACN-benzyl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H13N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2,(H2,11,12,13)
InChIKeySDROEWZZAHSJDT-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.74
Rot. Bonds2

About N-benzyl-4,5-dihydro-1H-imidazol-2-amine

N-benzyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 18432815) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-benzyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID18432815
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-benzyl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H13N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2,(H2,11,12,13)
InChIKeySDROEWZZAHSJDT-UHFFFAOYSA-N
XLogP0.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-benzyl-4,5-dihydro-1H-imidazol-2-amine (CID 18432815) is N-benzyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-benzyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-benzyl-4,5-dihydro-1H-imidazol-2-amine is c1ccc(CNC2=NCCN2)cc1.
What is the InChIKey of N-benzyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SDROEWZZAHSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-5H,6-8H2,(H2,11,12,13).
What are the key properties of N-benzyl-4,5-dihydro-1H-imidazol-2-amine?
N-benzyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 175.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 18432815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).