1-phenyl-4,5-dihydroimidazol-2-amine

C9H11N3 — CID 728567

IUPAC1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1c1ccccc1
InChIInChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyDILMDBKVKPVPRX-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.82
Rot. Bonds1

About 1-phenyl-4,5-dihydroimidazol-2-amine

1-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 728567) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID728567
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1c1ccccc1
InChIInChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyDILMDBKVKPVPRX-UHFFFAOYSA-N
XLogP0.82
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine (CID 728567) is 1-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-phenyl-4,5-dihydroimidazol-2-amine is NC1=NCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DILMDBKVKPVPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11).
What are the key properties of 1-phenyl-4,5-dihydroimidazol-2-amine?
1-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 161.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 728567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).