2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol

C18H21N5O — CID 135490280

IUPAC2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C18H21N5O/c1-3-23(4-2)14-10-9-13(17(24)11-14)12-19-22-18-20-15-7-5-6-8-16(15)21-18/h5-12,24H,3-4H2,1-2H3,(H2,20,21,22)/b19-12+
InChIKeyXQOKEALRIAEASJ-XDHOZWIPSA-N
MW323.40 g/mol
LogP3.56
Rot. Bonds6

About 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol

2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol (PubChem CID 135490280) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol
PubChem CID135490280
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C18H21N5O/c1-3-23(4-2)14-10-9-13(17(24)11-14)12-19-22-18-20-15-7-5-6-8-16(15)21-18/h5-12,24H,3-4H2,1-2H3,(H2,20,21,22)/b19-12+
InChIKeyXQOKEALRIAEASJ-XDHOZWIPSA-N
XLogP3.56
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-Dimethyl-2-benzimidazolyl)phenol
CID 246546
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
Cra_1144
CID 1506
Cra_1802
CID 447502
2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 9840849
2-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10316274
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10472142
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10337265
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol (CID 135490280) is 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1.
What is the InChIKey of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol?
The InChIKey is XQOKEALRIAEASJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-23(4-2)14-10-9-13(17(24)11-14)12-19-22-18-20-15-7-5-6-8-16(15)21-18/h5-12,24H,3-4H2,1-2H3,(H2,20,21,22)/b19-12+.
What are the key properties of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol?
2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol has a molecular weight of 323.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-5-(diethylamino)phenol is sourced from PubChem (CID 135490280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).