(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine

C26H23N3O — CID 87891589

IUPAC(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N3O/c30-28-23-17-10-18-24-25(23)27-19-29(24)26(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,30H,10,17-18H2/b28-23+
InChIKeyFLPDUGOJYNKWTN-WEMUOSSPSA-N
MW393.49 g/mol
LogP5.24
Rot. Bonds4

About (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine

(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine (PubChem CID 87891589) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
PubChem CID87891589
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N3O/c30-28-23-17-10-18-24-25(23)27-19-29(24)26(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,30H,10,17-18H2/b28-23+
InChIKeyFLPDUGOJYNKWTN-WEMUOSSPSA-N
XLogP5.24
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1-trityl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanol;(3-trityl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanol
CID 161476981
(NZ)-N-(2-phenyl-6,7-dihydro-5H-quinolin-8-ylidene)hydroxylamine
CID 135850728
(NZ)-N-(1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-ylidene)hydroxylamine
CID 135410015
methyl 1-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate;methyl 3-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate
CID 161161479
1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 166068296
CID 59549293
CID 59549293
(NZ)-N-(1-propan-2-yl-6,7-dihydro-5H-indazol-4-ylidene)hydroxylamine
CID 59401463
bis(3-tritylimidazol-4-yl)methanone
CID 174611093
(1-tritylimidazol-2-yl)methanol
CID 11131622
N-[(5-methyl-1-tritylimidazol-4-yl)methyl]propan-2-amine
CID 19828085
(5aS,8aS)-7-phenyl-3-trityl-4,5,5a,8a-tetrahydropyrrolo[3,4-e]benzimidazole-6,8-dione;(5aR,8aR)-7-phenyl-3-trityl-4,5,5a,8a-tetrahydropyrrolo[3,4-e]benzimidazole-6,8-dione
CID 139091524
(5aR,8aR)-7-phenyl-3-trityl-4,5,5a,8a-tetrahydropyrrolo[3,4-e]benzimidazole-6,8-dione
CID 139091525

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine (CID 87891589) is (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine is O/N=C1\CCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine?
The InChIKey is FLPDUGOJYNKWTN-WEMUOSSPSA-N. The full InChI is InChI=1S/C26H23N3O/c30-28-23-17-10-18-24-25(23)27-19-29(24)26(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,30H,10,17-18H2/b28-23+.
What are the key properties of (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine?
(NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine has a molecular weight of 393.49 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-trityl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 87891589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).