1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine

C13H16ClN3O — CID 62476983

IUPAC1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C13H16ClN3O/c1-18-6-5-11(15)13-16-8-12(17-13)9-3-2-4-10(14)7-9/h2-4,7-8,11H,5-6,15H2,1H3,(H,16,17)
InChIKeyDCWZMCCDXORPFP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.77
Rot. Bonds5

About 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine

1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine (PubChem CID 62476983) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
PubChem CID62476983
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C13H16ClN3O/c1-18-6-5-11(15)13-16-8-12(17-13)9-3-2-4-10(14)7-9/h2-4,7-8,11H,5-6,15H2,1H3,(H,16,17)
InChIKeyDCWZMCCDXORPFP-UHFFFAOYSA-N
XLogP2.77
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine (CID 62476983) is 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine is COCCC(N)c1ncc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The InChIKey is DCWZMCCDXORPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-18-6-5-11(15)13-16-8-12(17-13)9-3-2-4-10(14)7-9/h2-4,7-8,11H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62476983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).