2-diethoxyphosphoryl-1H-benzimidazole

C11H15N2O3P — CID 15498454

IUPAC2-diethoxyphosphoryl-1H-benzimidazole
SMILESCCOP(=O)(OCC)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N2O3P/c1-3-15-17(14,16-4-2)11-12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyZCXJVCCZXPQINY-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.45
Rot. Bonds5

About 2-diethoxyphosphoryl-1H-benzimidazole

2-diethoxyphosphoryl-1H-benzimidazole (PubChem CID 15498454) has the molecular formula C11H15N2O3P and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1H-benzimidazole.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1H-benzimidazole
PubChem CID15498454
Molecular FormulaC11H15N2O3P
Molecular Weight254.23 g/mol
Exact Mass254.08
IUPAC Name2-diethoxyphosphoryl-1H-benzimidazole
SMILESCCOP(=O)(OCC)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N2O3P/c1-3-15-17(14,16-4-2)11-12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyZCXJVCCZXPQINY-UHFFFAOYSA-N
XLogP2.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
3-diethoxyphosphoryl-1-methylquinoxalin-2-one
CID 88586704
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
1H-benzimidazol-2-yl dihydrogen phosphate
CID 174491341
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
ethyl (E)-3-(1H-benzimidazol-2-ylamino)-2-cyanoprop-2-enoate
CID 12955102
2-(diethoxyphosphorylmethyl)-3H-quinazolin-4-one
CID 167876412

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1H-benzimidazole?
The IUPAC name of 2-diethoxyphosphoryl-1H-benzimidazole (CID 15498454) is 2-diethoxyphosphoryl-1H-benzimidazole.
What is the SMILES notation for 2-diethoxyphosphoryl-1H-benzimidazole?
The canonical SMILES for 2-diethoxyphosphoryl-1H-benzimidazole is CCOP(=O)(OCC)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-diethoxyphosphoryl-1H-benzimidazole?
The InChIKey is ZCXJVCCZXPQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O3P/c1-3-15-17(14,16-4-2)11-12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-diethoxyphosphoryl-1H-benzimidazole?
2-diethoxyphosphoryl-1H-benzimidazole has a molecular weight of 254.23 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1H-benzimidazole is sourced from PubChem (CID 15498454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).