(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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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).