(E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine

C16H13N5O — CID 136915045

IUPAC(E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine
SMILESCc1ccc(-c2[nH]ncc2/C=N/n2cnc3ccccc32)o1
InChIInChI=1S/C16H13N5O/c1-11-6-7-15(22-11)16-12(8-18-20-16)9-19-21-10-17-13-4-2-3-5-14(13)21/h2-10H,1H3,(H,18,20)/b19-9+
InChIKeyKYXHHTWVNCKFQN-DJKKODMXSA-N
MW291.31 g/mol
LogP3.21
Rot. Bonds3

About (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine

(E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine (PubChem CID 136915045) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine
PubChem CID136915045
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name(E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine
SMILESCc1ccc(-c2[nH]ncc2/C=N/n2cnc3ccccc32)o1
InChIInChI=1S/C16H13N5O/c1-11-6-7-15(22-11)16-12(8-18-20-16)9-19-21-10-17-13-4-2-3-5-14(13)21/h2-10H,1H3,(H,18,20)/b19-9+
InChIKeyKYXHHTWVNCKFQN-DJKKODMXSA-N
XLogP3.21
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-7-(furan-2-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406903
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
7-(furan-2-yl)-3-(1H-indazol-5-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874662
7-(5-methyl-2-furyl)-2-(1H-pyrrol-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1471646
(E)-2-(1H-benzimidazol-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 6146862
4-N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 9678525
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
11-(Furan-2-yl)-3-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-amine
CID 57391694
11-(Furan-2-yl)-4-(3-phenylpropyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
CID 57398676
11-(Furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
CID 57403905
4-[5-[3-Ethyl-5-(5-methyl-2-furyl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridyl)methyl]benzimidazol-2-yl]benzamide
CID 71457554
4-[5-[3-Ethyl-5-(5-methyl-2-furyl)pyrazol-1-yl]-1-(3-pyridylmethyl)benzimidazol-2-yl]benzamide
CID 71459439

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine?
The IUPAC name of (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine (CID 136915045) is (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine?
The canonical SMILES for (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine is Cc1ccc(-c2[nH]ncc2/C=N/n2cnc3ccccc32)o1.
What is the InChIKey of (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine?
The InChIKey is KYXHHTWVNCKFQN-DJKKODMXSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11-6-7-15(22-11)16-12(8-18-20-16)9-19-21-10-17-13-4-2-3-5-14(13)21/h2-10H,1H3,(H,18,20)/b19-9+.
What are the key properties of (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine?
(E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine has a molecular weight of 291.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzimidazol-1-yl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanimine is sourced from PubChem (CID 136915045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).