N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine

C20H14N4O — CID 174548407

IUPACN-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
SMILESON=CC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21
InChIInChI=1S/C20H14N4O/c25-22-10-16-12-4-1-2-5-13(12)19-14(16)6-3-7-15(19)20-23-17-8-9-21-11-18(17)24-20/h1-11,16,25H,(H,23,24)
InChIKeyLEOFJTORYXVJOS-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.20
Rot. Bonds2

About N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine

N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine (PubChem CID 174548407) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
PubChem CID174548407
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC NameN-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
SMILESON=CC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21
InChIInChI=1S/C20H14N4O/c25-22-10-16-12-4-1-2-5-13(12)19-14(16)6-3-7-15(19)20-23-17-8-9-21-11-18(17)24-20/h1-11,16,25H,(H,23,24)
InChIKeyLEOFJTORYXVJOS-UHFFFAOYSA-N
XLogP4.20
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine (CID 174548407) is N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine is ON=CC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21.
What is the InChIKey of N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine?
The InChIKey is LEOFJTORYXVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-22-10-16-12-4-1-2-5-13(12)19-14(16)6-3-7-15(19)20-23-17-8-9-21-11-18(17)24-20/h1-11,16,25H,(H,23,24).
What are the key properties of N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine?
N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine has a molecular weight of 326.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine is sourced from PubChem (CID 174548407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).