1H-benzimidazol-2-yl dihydrogen phosphate

C7H7N2O4P — CID 174491341

IUPAC1H-benzimidazol-2-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1nc2ccccc2[nH]1
InChIInChI=1S/C7H7N2O4P/c10-14(11,12)13-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H2,10,11,12)
InChIKeyMOJMESHDMUXDGW-UHFFFAOYSA-N
MW214.12 g/mol
LogP1.03
Rot. Bonds2

About 1H-benzimidazol-2-yl dihydrogen phosphate

1H-benzimidazol-2-yl dihydrogen phosphate (PubChem CID 174491341) has the molecular formula C7H7N2O4P and a molecular weight of 214.12 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name1H-benzimidazol-2-yl dihydrogen phosphate
PubChem CID174491341
Molecular FormulaC7H7N2O4P
Molecular Weight214.12 g/mol
Exact Mass214.01
IUPAC Name1H-benzimidazol-2-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1nc2ccccc2[nH]1
InChIInChI=1S/C7H7N2O4P/c10-14(11,12)13-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H2,10,11,12)
InChIKeyMOJMESHDMUXDGW-UHFFFAOYSA-N
XLogP1.03
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.12
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
1H-benzimidazol-2-yl 2-oxoacetate
CID 87309005
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
1-(1H-benzimidazol-2-yloxy)ethanol
CID 164970423
2-methylsulfanyloxy-1H-benzimidazole
CID 118398780
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
CID 23453413
[1-(1H-benzimidazol-2-yl)-1-phosphonoethyl]phosphonic acid;hydrate
CID 87788958
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
1H-benzimidazol-2-yl naphthalene-2-sulfonate
CID 7559535
2-(2-bromophenoxy)-1H-benzimidazole
CID 66728072
3-(1H-benzimidazol-2-yloxy)benzoic acid
CID 71564536
1H-benzimidazol-2-yl butyl carbonate
CID 174919281

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl dihydrogen phosphate?
The IUPAC name of 1H-benzimidazol-2-yl dihydrogen phosphate (CID 174491341) is 1H-benzimidazol-2-yl dihydrogen phosphate.
What is the SMILES notation for 1H-benzimidazol-2-yl dihydrogen phosphate?
The canonical SMILES for 1H-benzimidazol-2-yl dihydrogen phosphate is O=P(O)(O)Oc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl dihydrogen phosphate?
The InChIKey is MOJMESHDMUXDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O4P/c10-14(11,12)13-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H2,10,11,12).
What are the key properties of 1H-benzimidazol-2-yl dihydrogen phosphate?
1H-benzimidazol-2-yl dihydrogen phosphate has a molecular weight of 214.12 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl dihydrogen phosphate is sourced from PubChem (CID 174491341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).