1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol

C19H21N3O — CID 111104787

IUPAC1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
SMILESOC(CNCc1ccc(-n2ccnc2)cc1)Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-19(12-16-4-2-1-3-5-16)14-21-13-17-6-8-18(9-7-17)22-11-10-20-15-22/h1-11,15,19,21,23H,12-14H2
InChIKeyFKHADZXZUXDCAX-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.57
Rot. Bonds7

About 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol

1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol (PubChem CID 111104787) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
PubChem CID111104787
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
SMILESOC(CNCc1ccc(-n2ccnc2)cc1)Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-19(12-16-4-2-1-3-5-16)14-21-13-17-6-8-18(9-7-17)22-11-10-20-15-22/h1-11,15,19,21,23H,12-14H2
InChIKeyFKHADZXZUXDCAX-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 78871095
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol (CID 111104787) is 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol is OC(CNCc1ccc(-n2ccnc2)cc1)Cc1ccccc1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol?
The InChIKey is FKHADZXZUXDCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(12-16-4-2-1-3-5-16)14-21-13-17-6-8-18(9-7-17)22-11-10-20-15-22/h1-11,15,19,21,23H,12-14H2.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol?
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol has a molecular weight of 307.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 111104787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).