CID 174136647

C18H21BN2OP2 — CID 174136647

IUPAC—
SMILES[B]C(C)(C)Oc1ccc(-c2ccc3cnc(C(C)(P)P)n3c2)cc1
InChIInChI=1S/C18H21BN2OP2/c1-17(2,19)22-15-8-5-12(6-9-15)13-4-7-14-10-20-16(18(3,23)24)21(14)11-13/h4-11H,23-24H2,1-3H3
InChIKeyGKAUOVRXDPWAMZ-UHFFFAOYSA-N
MW354.14 g/mol
LogP4.21
Rot. Bonds4

About CID 174136647

CID 174136647 (PubChem CID 174136647) has the molecular formula C18H21BN2OP2 and a molecular weight of 354.14 g/mol.

Molecular Properties

Compound NameCID 174136647
PubChem CID174136647
Molecular FormulaC18H21BN2OP2
Molecular Weight354.14 g/mol
Exact Mass354.12
IUPAC Name—
SMILES[B]C(C)(C)Oc1ccc(-c2ccc3cnc(C(C)(P)P)n3c2)cc1
InChIInChI=1S/C18H21BN2OP2/c1-17(2,19)22-15-8-5-12(6-9-15)13-4-7-14-10-20-16(18(3,23)24)21(14)11-13/h4-11H,23-24H2,1-3H3
InChIKeyGKAUOVRXDPWAMZ-UHFFFAOYSA-N
XLogP4.21
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 174136647 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etodesnitazene
CID 149797386
Sch 28080
CID 108137
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Metodesnitazene
CID 26412
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-phenyl-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-1,3-benzodiazole
CID 5329412
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278

Frequently Asked Questions

What is the IUPAC name of CID 174136647?
The IUPAC name of CID 174136647 (CID 174136647) is not available.
What is the SMILES notation for CID 174136647?
The canonical SMILES for CID 174136647 is [B]C(C)(C)Oc1ccc(-c2ccc3cnc(C(C)(P)P)n3c2)cc1.
What is the InChIKey of CID 174136647?
The InChIKey is GKAUOVRXDPWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BN2OP2/c1-17(2,19)22-15-8-5-12(6-9-15)13-4-7-14-10-20-16(18(3,23)24)21(14)11-13/h4-11H,23-24H2,1-3H3.
What are the key properties of CID 174136647?
CID 174136647 has a molecular weight of 354.14 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174136647 is sourced from PubChem (CID 174136647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).