2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol

C12H17N3O — CID 166265023

IUPAC2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol
SMILESCC(CO)NC1=NCC(c2ccccc2)N1
InChIInChI=1S/C12H17N3O/c1-9(8-16)14-12-13-7-11(15-12)10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H2,13,14,15)
InChIKeyQXCLZLDCHQHKQU-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.66
Rot. Bonds3

About 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol

2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol (PubChem CID 166265023) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol
PubChem CID166265023
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol
SMILESCC(CO)NC1=NCC(c2ccccc2)N1
InChIInChI=1S/C12H17N3O/c1-9(8-16)14-12-13-7-11(15-12)10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H2,13,14,15)
InChIKeyQXCLZLDCHQHKQU-UHFFFAOYSA-N
XLogP0.66
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol (CID 166265023) is 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol is CC(CO)NC1=NCC(c2ccccc2)N1.
What is the InChIKey of 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol?
The InChIKey is QXCLZLDCHQHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(8-16)14-12-13-7-11(15-12)10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol?
2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 166265023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).