N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane

C22H19ClN2O — CID 142505018

IUPACN'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
SMILESC=N/C(=N\Cc1ccccc1)c1ccc2oc3ccccc3c2c1.CCl
InChIInChI=1S/C21H16N2O.CH3Cl/c1-22-21(23-14-15-7-3-2-4-8-15)16-11-12-20-18(13-16)17-9-5-6-10-19(17)24-20;1-2/h2-13H,1,14H2;1H3/b23-21-;
InChIKeyMZICMQHVJRPDLZ-VZXGSGAOSA-N
MW362.86 g/mol
LogP6.09
Rot. Bonds3

About N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane

N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane (PubChem CID 142505018) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane.

Molecular Properties

Compound NameN'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
PubChem CID142505018
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC NameN'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
SMILESC=N/C(=N\Cc1ccccc1)c1ccc2oc3ccccc3c2c1.CCl
InChIInChI=1S/C21H16N2O.CH3Cl/c1-22-21(23-14-15-7-3-2-4-8-15)16-11-12-20-18(13-16)17-9-5-6-10-19(17)24-20;1-2/h2-13H,1,14H2;1H3/b23-21-;
InChIKeyMZICMQHVJRPDLZ-VZXGSGAOSA-N
XLogP6.09
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493
N-[N-(chloromethyl)-C-dibenzofuran-2-ylcarbonimidoyl]-2-(methylideneamino)ethanimidoyl chloride
CID 174096408
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
N-methylidene-N'-[[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methyl]dibenzofuran-2-carboximidamide
CID 145447260
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-N-methylidene-6-phenanthren-9-yldibenzofuran-1-carboximidamide
CID 170423774
2-prop-1-en-2-yldibenzofuran
CID 142504770
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-8-phenanthren-2-yldibenzofuran-1-carboximidamide
CID 170423152
(Z)-N-(chloromethyl)-1-dibenzofuran-2-yl-1-[1-(methylideneamino)naphthalen-2-yl]methanimine
CID 145442379

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane?
The IUPAC name of N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane (CID 142505018) is N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane.
What is the SMILES notation for N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane?
The canonical SMILES for N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane is C=N/C(=N\Cc1ccccc1)c1ccc2oc3ccccc3c2c1.CCl.
What is the InChIKey of N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane?
The InChIKey is MZICMQHVJRPDLZ-VZXGSGAOSA-N. The full InChI is InChI=1S/C21H16N2O.CH3Cl/c1-22-21(23-14-15-7-3-2-4-8-15)16-11-12-20-18(13-16)17-9-5-6-10-19(17)24-20;1-2/h2-13H,1,14H2;1H3/b23-21-;.
What are the key properties of N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane?
N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane has a molecular weight of 362.86 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane is sourced from PubChem (CID 142505018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).