2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile

C19H13N5O — CID 126042512

IUPAC2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(/C=N\Nc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C19H13N5O/c20-11-13-5-1-2-6-15(13)18-10-9-14(25-18)12-21-24-19-22-16-7-3-4-8-17(16)23-19/h1-10,12H,(H2,22,23,24)/b21-12-
InChIKeyKJRDBPNBWMMWCT-MTJSOVHGSA-N
MW327.35 g/mol
LogP4.14
Rot. Bonds4

About 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile

2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile (PubChem CID 126042512) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
PubChem CID126042512
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(/C=N\Nc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C19H13N5O/c20-11-13-5-1-2-6-15(13)18-10-9-14(25-18)12-21-24-19-22-16-7-3-4-8-17(16)23-19/h1-10,12H,(H2,22,23,24)/b21-12-
InChIKeyKJRDBPNBWMMWCT-MTJSOVHGSA-N
XLogP4.14
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 4271581
methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 40533746
2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
CID 19060025
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 958480
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2850991
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 2858565
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657677
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile (CID 126042512) is 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc(/C=N\Nc2nc3ccccc3[nH]2)o1.
What is the InChIKey of 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile?
The InChIKey is KJRDBPNBWMMWCT-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H13N5O/c20-11-13-5-1-2-6-15(13)18-10-9-14(25-18)12-21-24-19-22-16-7-3-4-8-17(16)23-19/h1-10,12H,(H2,22,23,24)/b21-12-.
What are the key properties of 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile?
2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile has a molecular weight of 327.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 126042512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).