[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol

C15H11ClN4O3 — CID 5422812

IUPAC[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N\n2c(CO)nc3ccccc32)c1
InChIInChI=1S/C15H11ClN4O3/c16-12-6-5-11(20(22)23)7-10(12)8-17-19-14-4-2-1-3-13(14)18-15(19)9-21/h1-8,21H,9H2/b17-8-
InChIKeyQNTFHKLSQSVCHU-IUXPMGMMSA-N
MW330.73 g/mol
LogP2.97
Rot. Bonds4

About [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol

[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol (PubChem CID 5422812) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol
PubChem CID5422812
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N\n2c(CO)nc3ccccc32)c1
InChIInChI=1S/C15H11ClN4O3/c16-12-6-5-11(20(22)23)7-10(12)8-17-19-14-4-2-1-3-13(14)18-15(19)9-21/h1-8,21H,9H2/b17-8-
InChIKeyQNTFHKLSQSVCHU-IUXPMGMMSA-N
XLogP2.97
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol
CID 118108475
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 6885859
(E)-1-(2-chloro-5-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6861205
(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine
CID 5414282
4-[(2-chloro-5-nitrophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 3587821
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chloro-5-nitrophenyl)methanimine
CID 6879178
(Z)-1-(2-chloro-5-nitrophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028049
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-4-nitrobenzamide
CID 78810406
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 3708913
(E)-1-(2-chloro-5-nitrophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 170978138

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol (CID 5422812) is [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol is O=[N+]([O-])c1ccc(Cl)c(/C=N\n2c(CO)nc3ccccc32)c1.
What is the InChIKey of [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol?
The InChIKey is QNTFHKLSQSVCHU-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-12-6-5-11(20(22)23)7-10(12)8-17-19-14-4-2-1-3-13(14)18-15(19)9-21/h1-8,21H,9H2/b17-8-.
What are the key properties of [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol?
[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol has a molecular weight of 330.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol is sourced from PubChem (CID 5422812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).