3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol

C13H17N3O — CID 113369521

IUPAC3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol
SMILESOCCCc1cccc(NCc2cnc[nH]2)c1
InChIInChI=1S/C13H17N3O/c17-6-2-4-11-3-1-5-12(7-11)15-9-13-8-14-10-16-13/h1,3,5,7-8,10,15,17H,2,4,6,9H2,(H,14,16)
InChIKeyNHHBOAUUWWEMRQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.95
Rot. Bonds6

About 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol

3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol (PubChem CID 113369521) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol
PubChem CID113369521
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol
SMILESOCCCc1cccc(NCc2cnc[nH]2)c1
InChIInChI=1S/C13H17N3O/c17-6-2-4-11-3-1-5-12(7-11)15-9-13-8-14-10-16-13/h1,3,5,7-8,10,15,17H,2,4,6,9H2,(H,14,16)
InChIKeyNHHBOAUUWWEMRQ-UHFFFAOYSA-N
XLogP1.95
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol (CID 113369521) is 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol is OCCCc1cccc(NCc2cnc[nH]2)c1.
What is the InChIKey of 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol?
The InChIKey is NHHBOAUUWWEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-6-2-4-11-3-1-5-12(7-11)15-9-13-8-14-10-16-13/h1,3,5,7-8,10,15,17H,2,4,6,9H2,(H,14,16).
What are the key properties of 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol?
3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 113369521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).