(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol

C7H13N3O — CID 92763391

IUPAC(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
SMILESC[C@@H](O)CNCc1ncc[nH]1
InChIInChI=1S/C7H13N3O/c1-6(11)4-8-5-7-9-2-3-10-7/h2-3,6,8,11H,4-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyZXWNGPXTTNRTNY-ZCFIWIBFSA-N
MW155.20 g/mol
LogP-0.12
Rot. Bonds4

About (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol

(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol (PubChem CID 92763391) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
PubChem CID92763391
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
SMILESC[C@@H](O)CNCc1ncc[nH]1
InChIInChI=1S/C7H13N3O/c1-6(11)4-8-5-7-9-2-3-10-7/h2-3,6,8,11H,4-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyZXWNGPXTTNRTNY-ZCFIWIBFSA-N
XLogP-0.12
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
CID 111118678
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 110929248

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol (CID 92763391) is (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol is C[C@@H](O)CNCc1ncc[nH]1.
What is the InChIKey of (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol?
The InChIKey is ZXWNGPXTTNRTNY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(11)4-8-5-7-9-2-3-10-7/h2-3,6,8,11H,4-5H2,1H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol?
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 92763391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).