2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride

C18H16ClN5O — CID 135950283

IUPAC2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
SMILESCl.Oc1nc(NCc2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C18H15N5O.ClH/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12;/h1-9,11,24H,10H2,(H2,21,22,23);1H/b13-9+;
InChIKeyLBUBAXBRRZOBGC-KJEVSKRMSA-N
MW353.81 g/mol
LogP3.80
Rot. Bonds4

About 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride

2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride (PubChem CID 135950283) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
PubChem CID135950283
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
SMILESCl.Oc1nc(NCc2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C18H15N5O.ClH/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12;/h1-9,11,24H,10H2,(H2,21,22,23);1H/b13-9+;
InChIKeyLBUBAXBRRZOBGC-KJEVSKRMSA-N
XLogP3.80
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride with MolForge

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Related Compounds

2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712510
2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135986115
2-(propylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712522
2-(benzylamino)-5-[(Z)-(5-nitropyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol
CID 135950267
2-(1-adamantylmethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 161343449
2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136652744
2-phenyl-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135463519
2-(4-benzylpiperazin-1-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;trihydrochloride
CID 159605531
2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136660575
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712499
2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 159124390
5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-2-[[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]-1H-imidazol-4-ol
CID 136500307

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride?
The IUPAC name of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride (CID 135950283) is 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride.
What is the SMILES notation for 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride?
The canonical SMILES for 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride is Cl.Oc1nc(NCc2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride?
The InChIKey is LBUBAXBRRZOBGC-KJEVSKRMSA-N. The full InChI is InChI=1S/C18H15N5O.ClH/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12;/h1-9,11,24H,10H2,(H2,21,22,23);1H/b13-9+;.
What are the key properties of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride?
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride has a molecular weight of 353.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride is sourced from PubChem (CID 135950283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).