N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine

C14H19N3 — CID 55178244

IUPACN-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(-c2ccc(C(C)C)cc2)[nH]1
InChIInChI=1S/C14H19N3/c1-10(2)11-4-6-12(7-5-11)14-16-9-13(17-14)8-15-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyRGOOIQVSSACXBH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.92
Rot. Bonds4

About N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine

N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 55178244) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID55178244
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(-c2ccc(C(C)C)cc2)[nH]1
InChIInChI=1S/C14H19N3/c1-10(2)11-4-6-12(7-5-11)14-16-9-13(17-14)8-15-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyRGOOIQVSSACXBH-UHFFFAOYSA-N
XLogP2.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine (CID 55178244) is N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(-c2ccc(C(C)C)cc2)[nH]1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is RGOOIQVSSACXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)11-4-6-12(7-5-11)14-16-9-13(17-14)8-15-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 55178244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).