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

C17H25N3 — CID 60851702

IUPAC3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(-c2cnc(CCCNC(C)C)[nH]2)cc1
InChIInChI=1S/C17H25N3/c1-4-14-7-9-15(10-8-14)16-12-19-17(20-16)6-5-11-18-13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyJNUUSPFPKXRPNU-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.57
Rot. Bonds7

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

3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 60851702) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID60851702
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCCc1ccc(-c2cnc(CCCNC(C)C)[nH]2)cc1
InChIInChI=1S/C17H25N3/c1-4-14-7-9-15(10-8-14)16-12-19-17(20-16)6-5-11-18-13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyJNUUSPFPKXRPNU-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.57
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

N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 114995817
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849764
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 60851702) is 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is CCc1ccc(-c2cnc(CCCNC(C)C)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is JNUUSPFPKXRPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-14-7-9-15(10-8-14)16-12-19-17(20-16)6-5-11-18-13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 60851702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).