2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide

C23H22N4O2 — CID 141354454

IUPAC2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide
SMILESCCOc1nc2ccccc2n1Cc1ccc(-c2ccccc2/C(N)=N/O)cc1
InChIInChI=1S/C23H22N4O2/c1-2-29-23-25-20-9-5-6-10-21(20)27(23)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)22(24)26-28/h3-14,28H,2,15H2,1H3,(H2,24,26)
InChIKeyPKIMBSDDFSLMIM-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.24
Rot. Bonds6

About 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide

2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 141354454) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide
PubChem CID141354454
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide
SMILESCCOc1nc2ccccc2n1Cc1ccc(-c2ccccc2/C(N)=N/O)cc1
InChIInChI=1S/C23H22N4O2/c1-2-29-23-25-20-9-5-6-10-21(20)27(23)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)22(24)26-28/h3-14,28H,2,15H2,1H3,(H2,24,26)
InChIKeyPKIMBSDDFSLMIM-UHFFFAOYSA-N
XLogP4.24
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(N'-hydroxycarbamimidoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 78144897
2-[4-[[2-ethoxy-7-[hydroxy-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]methyl]benzimidazol-1-yl]methyl]phenyl]-N'-hydroxybenzenecarboximidamide
CID 172957931
methyl 2-ethoxy-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 15654679
2-[4-[(2-ethoxy-7-methoxycarbonylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 135742044
(NE)-N-[[2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methylidene]hydroxylamine
CID 87686743
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[3-(N'-hydroxycarbamimidoyl)-4-phenylphenyl]methyl]benzimidazole-4-carboxylate
CID 90027762
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 2541
methyl 2-butyl-5-(5-ethoxypyrimidin-2-yl)-3-[[4-[2-(N'-hydroxycarbamimidoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 148550129
1-[2-ethoxy-3-[[4-(2-prop-1-ynylphenyl)phenyl]methyl]benzimidazol-4-yl]ethanone
CID 146619235
2-[4-[[2-butyl-4-(4-fluorophenyl)-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-N'-hydroxybenzenecarboximidamide
CID 86672448
propanoyloxymethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962911
prop-2-enyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 69409519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide (CID 141354454) is 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide is CCOc1nc2ccccc2n1Cc1ccc(-c2ccccc2/C(N)=N/O)cc1.
What is the InChIKey of 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is PKIMBSDDFSLMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-29-23-25-20-9-5-6-10-21(20)27(23)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)22(24)26-28/h3-14,28H,2,15H2,1H3,(H2,24,26).
What are the key properties of 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide?
2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 386.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethoxybenzimidazol-1-yl)methyl]phenyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 141354454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).