1-methyl-5-phenylimidazol-2-amine

C10H11N3 — CID 1132927

IUPAC1-methyl-5-phenylimidazol-2-amine
SMILESCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C10H11N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12)
InChIKeyJCXDQWPBUIEPRY-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.67
Rot. Bonds1

About 1-methyl-5-phenylimidazol-2-amine

1-methyl-5-phenylimidazol-2-amine (PubChem CID 1132927) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-methyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-phenylimidazol-2-amine
PubChem CID1132927
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-methyl-5-phenylimidazol-2-amine
SMILESCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C10H11N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12)
InChIKeyJCXDQWPBUIEPRY-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-methyl-5-phenylimidazol-2-amine (CID 1132927) is 1-methyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-methyl-5-phenylimidazol-2-amine is Cn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-methyl-5-phenylimidazol-2-amine?
The InChIKey is JCXDQWPBUIEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12).
What are the key properties of 1-methyl-5-phenylimidazol-2-amine?
1-methyl-5-phenylimidazol-2-amine has a molecular weight of 173.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 1132927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).