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

C16H23N3O — CID 60851877

IUPAC3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCOc1cccc(-c2cnc(CCCNC(C)C)[nH]2)c1
InChIInChI=1S/C16H23N3O/c1-12(2)17-9-5-8-16-18-11-15(19-16)13-6-4-7-14(10-13)20-3/h4,6-7,10-12,17H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyYRSCPFQSDOYQBN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds7

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

3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 60851877) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID60851877
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCOc1cccc(-c2cnc(CCCNC(C)C)[nH]2)c1
InChIInChI=1S/C16H23N3O/c1-12(2)17-9-5-8-16-18-11-15(19-16)13-6-4-7-14(10-13)20-3/h4,6-7,10-12,17H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyYRSCPFQSDOYQBN-UHFFFAOYSA-N
XLogP3.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849764
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177864
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
N-methyl-3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 60841562
3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 114995817

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 60851877) is 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is COc1cccc(-c2cnc(CCCNC(C)C)[nH]2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is YRSCPFQSDOYQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)17-9-5-8-16-18-11-15(19-16)13-6-4-7-14(10-13)20-3/h4,6-7,10-12,17H,5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 60851877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).