N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide

C20H22N4O — CID 12813617

IUPACN'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(-c2cc3cc(/N=C/N(C)C)ccc3o2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)13-21-17-7-5-15(6-8-17)20-12-16-11-18(22-14-24(3)4)9-10-19(16)25-20/h5-14H,1-4H3/b21-13+,22-14+
InChIKeySYJJISZNVGQPIP-JFMUQQRKSA-N
MW334.42 g/mol
LogP4.54
Rot. Bonds5

About N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide

N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 12813617) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide
PubChem CID12813617
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(-c2cc3cc(/N=C/N(C)C)ccc3o2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)13-21-17-7-5-15(6-8-17)20-12-16-11-18(22-14-24(3)4)9-10-19(16)25-20/h5-14H,1-4H3/b21-13+,22-14+
InChIKeySYJJISZNVGQPIP-JFMUQQRKSA-N
XLogP4.54
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide (CID 12813617) is N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(-c2cc3cc(/N=C/N(C)C)ccc3o2)cc1.
What is the InChIKey of N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is SYJJISZNVGQPIP-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)13-21-17-7-5-15(6-8-17)20-12-16-11-18(22-14-24(3)4)9-10-19(16)25-20/h5-14H,1-4H3/b21-13+,22-14+.
What are the key properties of N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide?
N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 334.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12813617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).