N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide

C23H22N4O — CID 10044674

IUPACN-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide
SMILESO=NN=c1n(CCc2ccccc2)c2ccccc2n1CCc1ccccc1
InChIInChI=1S/C23H22N4O/c28-25-24-23-26(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)27(23)18-16-20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKeyOAZJTRKTDREVKR-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.51
Rot. Bonds7

About N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide

N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide (PubChem CID 10044674) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide.

Molecular Properties

Compound NameN-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide
PubChem CID10044674
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide
SMILESO=NN=c1n(CCc2ccccc2)c2ccccc2n1CCc1ccccc1
InChIInChI=1S/C23H22N4O/c28-25-24-23-26(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)27(23)18-16-20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKeyOAZJTRKTDREVKR-UHFFFAOYSA-N
XLogP4.51
TPSA51.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide?
The IUPAC name of N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide (CID 10044674) is N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide.
What is the SMILES notation for N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide?
The canonical SMILES for N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide is O=NN=c1n(CCc2ccccc2)c2ccccc2n1CCc1ccccc1.
What is the InChIKey of N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide?
The InChIKey is OAZJTRKTDREVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-25-24-23-26(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)27(23)18-16-20-11-5-2-6-12-20/h1-14H,15-18H2.
What are the key properties of N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide?
N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide has a molecular weight of 370.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide is sourced from PubChem (CID 10044674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).