2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol

C18H14ClN5O — CID 135986115

IUPAC2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NCc2cccc(Cl)c2)[nH]c1/C=C1/C=Nc2ncccc21
InChIInChI=1S/C18H14ClN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10,25H,9H2,(H2,22,23,24)/b12-8-
InChIKeyFZVXZGCIWNFOPP-WQLSENKSSA-N
MW351.80 g/mol
LogP4.03
Rot. Bonds4

About 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol

2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135986115) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135986115
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NCc2cccc(Cl)c2)[nH]c1/C=C1/C=Nc2ncccc21
InChIInChI=1S/C18H14ClN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10,25H,9H2,(H2,22,23,24)/b12-8-
InChIKeyFZVXZGCIWNFOPP-WQLSENKSSA-N
XLogP4.03
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
CID 135950283
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
2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135407417
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
1-chloro-3-[(sulfinoamino)methyl]benzene
CID 23323237
2-[(3-chlorophenyl)methylamino]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610648
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135986115) is 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is Oc1nc(NCc2cccc(Cl)c2)[nH]c1/C=C1/C=Nc2ncccc21.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is FZVXZGCIWNFOPP-WQLSENKSSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10,25H,9H2,(H2,22,23,24)/b12-8-.
What are the key properties of 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 351.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135986115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).