N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C15H14N4O2 — CID 7387973

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C/c1ccco1
InChIInChI=1S/C15H14N4O2/c1-11-17-13-6-2-3-7-14(13)19(11)10-15(20)18-16-9-12-5-4-8-21-12/h2-9H,10H2,1H3,(H,18,20)/b16-9+
InChIKeyHOGGWOAYHVNUBM-CXUHLZMHSA-N
MW282.30 g/mol
LogP2.09
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 7387973) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID7387973
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C/c1ccco1
InChIInChI=1S/C15H14N4O2/c1-11-17-13-6-2-3-7-14(13)19(11)10-15(20)18-16-9-12-5-4-8-21-12/h2-9H,10H2,1H3,(H,18,20)/b16-9+
InChIKeyHOGGWOAYHVNUBM-CXUHLZMHSA-N
XLogP2.09
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 7387973) is N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is HOGGWOAYHVNUBM-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-17-13-6-2-3-7-14(13)19(11)10-15(20)18-16-9-12-5-4-8-21-12/h2-9H,10H2,1H3,(H,18,20)/b16-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 7387973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).