(2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol

C14H19N3O — CID 57328259

IUPAC(2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-2-13(10-18)16-9-12-3-5-14(6-4-12)17-8-7-15-11-17/h3-8,11,13,16,18H,2,9-10H2,1H3/t13-/m1/s1
InChIKeyYUQJNLUDEPXTMJ-CYBMUJFWSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol

(2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol (PubChem CID 57328259) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol
PubChem CID57328259
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-2-13(10-18)16-9-12-3-5-14(6-4-12)17-8-7-15-11-17/h3-8,11,13,16,18H,2,9-10H2,1H3/t13-/m1/s1
InChIKeyYUQJNLUDEPXTMJ-CYBMUJFWSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-ethylphenyl)-3-(2-methylimidazol-1-yl)propanamide
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(3-(1H-Imidazol-1-yl)propyl)-2-cyano-3-(4-isopropylphenyl)guanidine
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1,5-dihydro-4-(4-(1H-imidazol-1-yl)phenyl)-3-methyl-2H-pyrrol-2-one
CID 195152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol (CID 57328259) is (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol?
The InChIKey is YUQJNLUDEPXTMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-13(10-18)16-9-12-3-5-14(6-4-12)17-8-7-15-11-17/h3-8,11,13,16,18H,2,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol?
(2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-imidazol-1-ylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 57328259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).