N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole

C22H29N3O — CID 142299251

IUPACN'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole
SMILESCCCCC.N/C(=N\c1ccc(O)cc1)c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C13H12N2O.C5H12.C4H5N/c14-13(10-4-2-1-3-5-10)15-11-6-8-12(16)9-7-11;1-3-5-4-2;1-2-4-5-3-1/h1-9,16H,(H2,14,15);3-5H2,1-2H3;1-5H
InChIKeyDHGKZJVSXYUCMY-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.64
Rot. Bonds4

About N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole

N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole (PubChem CID 142299251) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole
PubChem CID142299251
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole
SMILESCCCCC.N/C(=N\c1ccc(O)cc1)c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C13H12N2O.C5H12.C4H5N/c14-13(10-4-2-1-3-5-10)15-11-6-8-12(16)9-7-11;1-3-5-4-2;1-2-4-5-3-1/h1-9,16H,(H2,14,15);3-5H2,1-2H3;1-5H
InChIKeyDHGKZJVSXYUCMY-UHFFFAOYSA-N
XLogP5.64
TPSA74.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.64
H-Bond Donors ≤ 53
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

N'-(4-hydroxyphenyl)pyridine-2-carboximidamide;1H-imidazole;pentane
CID 142299218
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
dodecane;phenol
CID 157210063
1H-azonin-4-ol
CID 21453636
N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
CID 63176206
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
CID 177400217
CID 177400217
benzenecarboximidamide;1H-pyrrole
CID 158593667
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
N'-(4-hydroxyphenyl)pyridine-2-carboximidamide
CID 136600312

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole?
The IUPAC name of N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole (CID 142299251) is N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole.
What is the SMILES notation for N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole?
The canonical SMILES for N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole is CCCCC.N/C(=N\c1ccc(O)cc1)c1ccccc1.c1cc[nH]c1.
What is the InChIKey of N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole?
The InChIKey is DHGKZJVSXYUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C5H12.C4H5N/c14-13(10-4-2-1-3-5-10)15-11-6-8-12(16)9-7-11;1-3-5-4-2;1-2-4-5-3-1/h1-9,16H,(H2,14,15);3-5H2,1-2H3;1-5H.
What are the key properties of N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole?
N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole has a molecular weight of 351.49 g/mol, XLogP of 5.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)benzenecarboximidamide;pentane;1H-pyrrole is sourced from PubChem (CID 142299251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).