N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C10H13N3 — CID 12948961

IUPACN-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C10H13N3/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKeyGTPHHSDNEHXLJQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.37
Rot. Bonds1

About N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12948961) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12948961
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C10H13N3/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKeyGTPHHSDNEHXLJQ-UHFFFAOYSA-N
XLogP1.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 12948961) is N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1ccc(NC2=NCCN2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is GTPHHSDNEHXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13).
What are the key properties of N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12948961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).