1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine

C16H14IN3 — CID 106554158

IUPAC1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(-c2ccc(I)cc2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H14IN3/c1-12-11-20(15-9-7-13(17)8-10-15)16(18-12)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyPDLLBFNZNDPVTO-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.53
Rot. Bonds3

About 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine

1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106554158) has the molecular formula C16H14IN3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106554158
Molecular FormulaC16H14IN3
Molecular Weight375.21 g/mol
Exact Mass375.02
IUPAC Name1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(-c2ccc(I)cc2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H14IN3/c1-12-11-20(15-9-7-13(17)8-10-15)16(18-12)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyPDLLBFNZNDPVTO-UHFFFAOYSA-N
XLogP4.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine (CID 106554158) is 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine is Cc1cn(-c2ccc(I)cc2)c(Nc2ccccc2)n1.
What is the InChIKey of 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is PDLLBFNZNDPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3/c1-12-11-20(15-9-7-13(17)8-10-15)16(18-12)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19).
What are the key properties of 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine?
1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 375.21 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106554158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).