3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol

C21H25N3O — CID 167977937

IUPAC3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol
SMILESCC(O)C(C)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C21H25N3O/c1-16(17(2)25)23-13-20-5-3-4-6-21(20)19-9-7-18(8-10-19)14-24-12-11-22-15-24/h3-12,15-17,23,25H,13-14H2,1-2H3
InChIKeyLYMDFISGBUMDGC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.46
Rot. Bonds7

About 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol

3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol (PubChem CID 167977937) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol
PubChem CID167977937
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol
SMILESCC(O)C(C)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C21H25N3O/c1-16(17(2)25)23-13-20-5-3-4-6-21(20)19-9-7-18(8-10-19)14-24-12-11-22-15-24/h3-12,15-17,23,25H,13-14H2,1-2H3
InChIKeyLYMDFISGBUMDGC-UHFFFAOYSA-N
XLogP3.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978036
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
CID 119869593
1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 119114943
6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine
CID 133287760
1-[(3-fluorophenyl)methyl]-3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-2-methylguanidine
CID 111877411
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 111709546
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974792
N-[3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylcarbamoyl-methylamino]propyl]acetamide
CID 86969974
1-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111225934
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
CID 133287796
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111251598
1-tert-butyl-3-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine;hydroiodide
CID 110965621

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol?
The IUPAC name of 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol (CID 167977937) is 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol.
What is the SMILES notation for 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol?
The canonical SMILES for 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol is CC(O)C(C)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol?
The InChIKey is LYMDFISGBUMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(17(2)25)23-13-20-5-3-4-6-21(20)19-9-7-18(8-10-19)14-24-12-11-22-15-24/h3-12,15-17,23,25H,13-14H2,1-2H3.
What are the key properties of 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol?
3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol has a molecular weight of 335.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 167977937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).