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

C18H15N5O — CID 135712510

IUPAC2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NCc2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C18H15N5O/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)/b13-9+
InChIKeySMTKTUYEGXKISK-UKTHLTGXSA-N
MW317.35 g/mol
LogP3.38
Rot. Bonds4

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

2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712510) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712510
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NCc2ccccc2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C18H15N5O/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)/b13-9+
InChIKeySMTKTUYEGXKISK-UKTHLTGXSA-N
XLogP3.38
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Cypridina luciferin
CID 135398684
2-[(4,6-Dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol
CID 698373
1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-2-yl]-cyclopentanol
CID 44458329
2-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-2-yl]-propan-2-ol
CID 44458448
1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-2-yl]-cyclopropanol
CID 44458468
1-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-imidazol-2-yl]-cyclobutanol
CID 44458469
2-amino-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135514796
2-phenyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135550168
(Z)-2-(2-Methyl-morpholin-4-yl)-5-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methylidene]-3,5-dihydro-imidazol-4-one
CID 135712476
(Z)-2-(4-Methyl-piperidin-1-yl)-5-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methylidene]-3,5-dihydro-imidazol-4-one
CID 135712480
(Z)-2-(Cyclohexylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135712506
(Z)-2-[(2-Hydroxyethyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135712512

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712510) is 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is 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?
The InChIKey is SMTKTUYEGXKISK-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H15N5O/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)/b13-9+.
What are the key properties of 2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 317.35 g/mol, XLogP of 3.38, 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 is sourced from PubChem (CID 135712510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).