1-(3-methylphenyl)dibenzofuran-4-carboximidamide

C20H16N2O — CID 142453012

IUPAC1-(3-methylphenyl)dibenzofuran-4-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(C)c2)c2c1oc1ccccc12
InChIInChI=1S/C20H16N2O/c1-12-5-4-6-13(11-12)14-9-10-16(20(21)22)19-18(14)15-7-2-3-8-17(15)23-19/h2-11H,1H3,(H3,21,22)
InChIKeyMTHNYGYPSSLALD-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.85
Rot. Bonds2

About 1-(3-methylphenyl)dibenzofuran-4-carboximidamide

1-(3-methylphenyl)dibenzofuran-4-carboximidamide (PubChem CID 142453012) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)dibenzofuran-4-carboximidamide.

Molecular Properties

Compound Name1-(3-methylphenyl)dibenzofuran-4-carboximidamide
PubChem CID142453012
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-(3-methylphenyl)dibenzofuran-4-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(C)c2)c2c1oc1ccccc12
InChIInChI=1S/C20H16N2O/c1-12-5-4-6-13(11-12)14-9-10-16(20(21)22)19-18(14)15-7-2-3-8-17(15)23-19/h2-11H,1H3,(H3,21,22)
InChIKeyMTHNYGYPSSLALD-UHFFFAOYSA-N
XLogP4.85
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-4-carboximidamide
CID 142482098
1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide
CID 141034650
4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340631
8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
CID 145447469
4-(3-methylphenyl)-6-phenyldibenzofuran;4-phenylbenzenecarboximidamide;phenylmethanamine
CID 142481954
1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
CID 142519053
1-(4-phenylphenyl)dibenzofuran-4-amine
CID 121250061
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
1-(4-methylphenyl)dibenzofuran;3-(4-methylphenyl)dibenzofuran;3-methyl-7-phenyldibenzofuran;4-methyl-1-phenyldibenzofuran;4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran
CID 160682962
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 157348273

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)dibenzofuran-4-carboximidamide?
The IUPAC name of 1-(3-methylphenyl)dibenzofuran-4-carboximidamide (CID 142453012) is 1-(3-methylphenyl)dibenzofuran-4-carboximidamide.
What is the SMILES notation for 1-(3-methylphenyl)dibenzofuran-4-carboximidamide?
The canonical SMILES for 1-(3-methylphenyl)dibenzofuran-4-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(C)c2)c2c1oc1ccccc12.
What is the InChIKey of 1-(3-methylphenyl)dibenzofuran-4-carboximidamide?
The InChIKey is MTHNYGYPSSLALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-12-5-4-6-13(11-12)14-9-10-16(20(21)22)19-18(14)15-7-2-3-8-17(15)23-19/h2-11H,1H3,(H3,21,22).
What are the key properties of 1-(3-methylphenyl)dibenzofuran-4-carboximidamide?
1-(3-methylphenyl)dibenzofuran-4-carboximidamide has a molecular weight of 300.36 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)dibenzofuran-4-carboximidamide is sourced from PubChem (CID 142453012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).