1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole

C20H15N4O2P — CID 23732926

IUPAC1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole
SMILESO=P(Oc1ccccc1)(n1cnc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C20H15N4O2P/c25-27(26-16-8-2-1-3-9-16,23-14-21-17-10-4-6-12-19(17)23)24-15-22-18-11-5-7-13-20(18)24/h1-15H
InChIKeyHLYRAWCTDAPBFP-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.97
Rot. Bonds4

About 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole

1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole (PubChem CID 23732926) has the molecular formula C20H15N4O2P and a molecular weight of 374.34 g/mol. Its IUPAC name is 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole.

Molecular Properties

Compound Name1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole
PubChem CID23732926
Molecular FormulaC20H15N4O2P
Molecular Weight374.34 g/mol
Exact Mass374.09
IUPAC Name1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole
SMILESO=P(Oc1ccccc1)(n1cnc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C20H15N4O2P/c25-27(26-16-8-2-1-3-9-16,23-14-21-17-10-4-6-12-19(17)23)24-15-22-18-11-5-7-13-20(18)24/h1-15H
InChIKeyHLYRAWCTDAPBFP-UHFFFAOYSA-N
XLogP4.97
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(benzimidazol-1-yl) carbonate
CID 57193653
N,N-diphenylbenzimidazol-1-amine
CID 21219386
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
1-prop-2-enoxybenzimidazole
CID 45078219
benzimidazol-1-yl sulfite
CID 57025015
benzimidazol-1-ylcarbamic acid
CID 21218422
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
benzimidazole-1-sulfinate
CID 56998741
hydroxy phenyl hydrogen phosphate
CID 19103302

Frequently Asked Questions

What is the IUPAC name of 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole?
The IUPAC name of 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole (CID 23732926) is 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole.
What is the SMILES notation for 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole?
The canonical SMILES for 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole is O=P(Oc1ccccc1)(n1cnc2ccccc21)n1cnc2ccccc21.
What is the InChIKey of 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole?
The InChIKey is HLYRAWCTDAPBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N4O2P/c25-27(26-16-8-2-1-3-9-16,23-14-21-17-10-4-6-12-19(17)23)24-15-22-18-11-5-7-13-20(18)24/h1-15H.
What are the key properties of 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole?
1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole has a molecular weight of 374.34 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzimidazol-1-yl(phenoxy)phosphoryl]benzimidazole is sourced from PubChem (CID 23732926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).