2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol

C12H15N3O — CID 63182355

IUPAC2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
SMILESOCC(NCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3O/c16-9-11(10-4-2-1-3-5-10)15-8-12-13-6-7-14-12/h1-7,11,15-16H,8-9H2,(H,13,14)
InChIKeyZPEZRJRZHUQJTI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds5

About 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol

2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol (PubChem CID 63182355) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
PubChem CID63182355
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
SMILESOCC(NCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3O/c16-9-11(10-4-2-1-3-5-10)15-8-12-13-6-7-14-12/h1-7,11,15-16H,8-9H2,(H,13,14)
InChIKeyZPEZRJRZHUQJTI-UHFFFAOYSA-N
XLogP1.23
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
CID 54976417
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
CID 111449052
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
CID 107862609
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol?
The IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol (CID 63182355) is 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol is OCC(NCc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol?
The InChIKey is ZPEZRJRZHUQJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-9-11(10-4-2-1-3-5-10)15-8-12-13-6-7-14-12/h1-7,11,15-16H,8-9H2,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol?
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol has a molecular weight of 217.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol is sourced from PubChem (CID 63182355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).