3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine

C14H14N3OP — CID 143260939

IUPAC3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
SMILESCc1ccc(-c2nc3ccc(NP)cc3n2O)cc1
InChIInChI=1S/C14H14N3OP/c1-9-2-4-10(5-3-9)14-15-12-7-6-11(16-19)8-13(12)17(14)18/h2-8,16,18H,19H2,1H3
InChIKeyDRUATWXIMOWUAW-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.45
Rot. Bonds2

About 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine

3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine (PubChem CID 143260939) has the molecular formula C14H14N3OP and a molecular weight of 271.26 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
PubChem CID143260939
Molecular FormulaC14H14N3OP
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
SMILESCc1ccc(-c2nc3ccc(NP)cc3n2O)cc1
InChIInChI=1S/C14H14N3OP/c1-9-2-4-10(5-3-9)14-15-12-7-6-11(16-19)8-13(12)17(14)18/h2-8,16,18H,19H2,1H3
InChIKeyDRUATWXIMOWUAW-UHFFFAOYSA-N
XLogP3.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
(E)-N-[4-(6-amino-1-hydroxybenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 89209710
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 73024051
1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethanone
CID 10444910
6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 11314395
3-(6-ethynyl-3-pyridinyl)-N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]prop-2-enamide
CID 90890049
4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
CID 91426634
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium
CID 143261168
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
CID 25061865

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine (CID 143260939) is 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine is Cc1ccc(-c2nc3ccc(NP)cc3n2O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine?
The InChIKey is DRUATWXIMOWUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3OP/c1-9-2-4-10(5-3-9)14-15-12-7-6-11(16-19)8-13(12)17(14)18/h2-8,16,18H,19H2,1H3.
What are the key properties of 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine?
3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine has a molecular weight of 271.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine is sourced from PubChem (CID 143260939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).