5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol

C20H19N5O2 — CID 174105955

IUPAC5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
SMILESCOC[C@H](Nc1nc(O)c(C=c2ccc3c(c2)C=NN=3)[nH]1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c1-27-12-18(14-5-3-2-4-6-14)23-20-22-17(19(26)24-20)10-13-7-8-16-15(9-13)11-21-25-16/h2-11,18,26H,12H2,1H3,(H2,22,23,24)/t18-/m0/s1
InChIKeyGLFJXJJQWDUVFY-SFHVURJKSA-N
MW361.41 g/mol
LogP1.71
Rot. Bonds6

About 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol

5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol (PubChem CID 174105955) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
PubChem CID174105955
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
SMILESCOC[C@H](Nc1nc(O)c(C=c2ccc3c(c2)C=NN=3)[nH]1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c1-27-12-18(14-5-3-2-4-6-14)23-20-22-17(19(26)24-20)10-13-7-8-16-15(9-13)11-21-25-16/h2-11,18,26H,12H2,1H3,(H2,22,23,24)/t18-/m0/s1
InChIKeyGLFJXJJQWDUVFY-SFHVURJKSA-N
XLogP1.71
TPSA94.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol with MolForge

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Related Compounds

5-(benzimidazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
CID 174105858
2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136652744
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463564
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
CID 103464543
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701

Frequently Asked Questions

What is the IUPAC name of 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
The IUPAC name of 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol (CID 174105955) is 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol.
What is the SMILES notation for 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
The canonical SMILES for 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol is COC[C@H](Nc1nc(O)c(C=c2ccc3c(c2)C=NN=3)[nH]1)c1ccccc1.
What is the InChIKey of 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
The InChIKey is GLFJXJJQWDUVFY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-12-18(14-5-3-2-4-6-14)23-20-22-17(19(26)24-20)10-13-7-8-16-15(9-13)11-21-25-16/h2-11,18,26H,12H2,1H3,(H2,22,23,24)/t18-/m0/s1.
What are the key properties of 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol?
5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol has a molecular weight of 361.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol is sourced from PubChem (CID 174105955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).