4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol

C14H19N3O — CID 111449052

IUPAC4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
SMILESOCCC(CNCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H19N3O/c18-9-6-13(12-4-2-1-3-5-12)10-15-11-14-16-7-8-17-14/h1-5,7-8,13,15,18H,6,9-11H2,(H,16,17)
InChIKeyIODKFVSGFSVPSA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds7

About 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol

4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol (PubChem CID 111449052) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
PubChem CID111449052
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
SMILESOCCC(CNCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H19N3O/c18-9-6-13(12-4-2-1-3-5-12)10-15-11-14-16-7-8-17-14/h1-5,7-8,13,15,18H,6,9-11H2,(H,16,17)
InChIKeyIODKFVSGFSVPSA-UHFFFAOYSA-N
XLogP1.67
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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AZ8838
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2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
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2-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 15581127
2-(2,6-diethyl-benzyl)-1H-imidazole
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2-(2,6-Diisopropyl-benzyl)-1H-imidazole
CID 58951824
4-(2-Methylimidazol-1-yl)-2,2-diphenylbutan-1-ol
CID 44308653
2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole
CID 44571843
1H-imidazol-2-yl(phenyl)methanol
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US10550089, Example 9
CID 132116559

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol?
The IUPAC name of 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol (CID 111449052) is 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol?
The canonical SMILES for 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol is OCCC(CNCc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol?
The InChIKey is IODKFVSGFSVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-9-6-13(12-4-2-1-3-5-12)10-15-11-14-16-7-8-17-14/h1-5,7-8,13,15,18H,6,9-11H2,(H,16,17).
What are the key properties of 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol?
4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol is sourced from PubChem (CID 111449052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).