N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine

C11H13N3 — CID 19082365

IUPACN-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine
SMILESCNc1cnc(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C11H13N3/c1-8-4-3-5-9(6-8)11-13-7-10(12-2)14-11/h3-7,12H,1-2H3,(H,13,14)
InChIKeyFNZSBMLZCOGCIB-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.43
Rot. Bonds2

About N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine

N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine (PubChem CID 19082365) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine
PubChem CID19082365
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine
SMILESCNc1cnc(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C11H13N3/c1-8-4-3-5-9(6-8)11-13-7-10(12-2)14-11/h3-7,12H,1-2H3,(H,13,14)
InChIKeyFNZSBMLZCOGCIB-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine (CID 19082365) is N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine is CNc1cnc(-c2cccc(C)c2)[nH]1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine?
The InChIKey is FNZSBMLZCOGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-4-3-5-9(6-8)11-13-7-10(12-2)14-11/h3-7,12H,1-2H3,(H,13,14).
What are the key properties of N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine?
N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine has a molecular weight of 187.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine is sourced from PubChem (CID 19082365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).