2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde

C9H9N2OP — CID 89299613

IUPAC2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde
SMILESCc1nc2cc(C=O)ccc2n1P
InChIInChI=1S/C9H9N2OP/c1-6-10-8-4-7(5-12)2-3-9(8)11(6)13/h2-5H,13H2,1H3
InChIKeyBZWVAKCROYGKLR-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.80
Rot. Bonds1

About 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde

2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde (PubChem CID 89299613) has the molecular formula C9H9N2OP and a molecular weight of 192.16 g/mol. Its IUPAC name is 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde
PubChem CID89299613
Molecular FormulaC9H9N2OP
Molecular Weight192.16 g/mol
Exact Mass192.05
IUPAC Name2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde
SMILESCc1nc2cc(C=O)ccc2n1P
InChIInChI=1S/C9H9N2OP/c1-6-10-8-4-7(5-12)2-3-9(8)11(6)13/h2-5H,13H2,1H3
InChIKeyBZWVAKCROYGKLR-UHFFFAOYSA-N
XLogP1.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde?
The IUPAC name of 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde (CID 89299613) is 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde.
What is the SMILES notation for 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde?
The canonical SMILES for 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde is Cc1nc2cc(C=O)ccc2n1P.
What is the InChIKey of 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde?
The InChIKey is BZWVAKCROYGKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2OP/c1-6-10-8-4-7(5-12)2-3-9(8)11(6)13/h2-5H,13H2,1H3.
What are the key properties of 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde?
2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde has a molecular weight of 192.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde is sourced from PubChem (CID 89299613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).