3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine

C13H17N3O — CID 82463568

IUPAC3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
SMILESCOc1ccc(-c2ncc(CCCN)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-17-12-6-4-10(5-7-12)13-15-9-11(16-13)3-2-8-14/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyFKXLWQWPCBOREV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds5

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

3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine (PubChem CID 82463568) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
PubChem CID82463568
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
SMILESCOc1ccc(-c2ncc(CCCN)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-17-12-6-4-10(5-7-12)13-15-9-11(16-13)3-2-8-14/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyFKXLWQWPCBOREV-UHFFFAOYSA-N
XLogP1.98
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine (CID 82463568) is 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine is COc1ccc(-c2ncc(CCCN)[nH]2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine?
The InChIKey is FKXLWQWPCBOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-12-6-4-10(5-7-12)13-15-9-11(16-13)3-2-8-14/h4-7,9H,2-3,8,14H2,1H3,(H,15,16).
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine?
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine is sourced from PubChem (CID 82463568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).