3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine

C17H25N3 — CID 60849760

IUPAC3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(-c2nc(CCCNC(C)C)[nH]c2C)cc1
InChIInChI=1S/C17H25N3/c1-12(2)18-11-5-6-16-19-14(4)17(20-16)15-9-7-13(3)8-10-15/h7-10,12,18H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyPDXMUYHQVJNFLO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.62
Rot. Bonds6

About 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 60849760) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID60849760
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(-c2nc(CCCNC(C)C)[nH]c2C)cc1
InChIInChI=1S/C17H25N3/c1-12(2)18-11-5-6-16-19-14(4)17(20-16)15-9-7-13(3)8-10-15/h7-10,12,18H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyPDXMUYHQVJNFLO-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
CID 81137710
3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 114995817
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 82238183
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60849942
2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821367
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
CID 68888401

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 60849760) is 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is Cc1ccc(-c2nc(CCCNC(C)C)[nH]c2C)cc1.
What is the InChIKey of 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is PDXMUYHQVJNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)18-11-5-6-16-19-14(4)17(20-16)15-9-7-13(3)8-10-15/h7-10,12,18H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 60849760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).