CID 88883182

C24H22BN5O2 — CID 88883182

IUPAC—
SMILES[B]c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C3=NCCCN3C)cc2)nc1
InChIInChI=1S/C24H22BN5O2/c1-30-14-4-13-26-22(30)16-7-9-17(10-8-16)23(31)28-20-6-3-2-5-19(20)24(32)29-21-12-11-18(25)15-27-21/h2-3,5-12,15H,4,13-14H2,1H3,(H,28,31)(H,27,29,32)
InChIKeyLXYSCNVIOIPGED-UHFFFAOYSA-N
MW423.29 g/mol
LogP2.46
Rot. Bonds5

About CID 88883182

CID 88883182 (PubChem CID 88883182) has the molecular formula C24H22BN5O2 and a molecular weight of 423.29 g/mol.

Molecular Properties

Compound NameCID 88883182
PubChem CID88883182
Molecular FormulaC24H22BN5O2
Molecular Weight423.29 g/mol
Exact Mass423.19
IUPAC Name—
SMILES[B]c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C3=NCCCN3C)cc2)nc1
InChIInChI=1S/C24H22BN5O2/c1-30-14-4-13-26-22(30)16-7-9-17(10-8-16)23(31)28-20-6-3-2-5-19(20)24(32)29-21-12-11-18(25)15-27-21/h2-3,5-12,15H,4,13-14H2,1H3,(H,28,31)(H,27,29,32)
InChIKeyLXYSCNVIOIPGED-UHFFFAOYSA-N
XLogP2.46
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 20747498
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18727930
2-[[4-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]benzoyl]amino]-N-(5-prop-1-ynyl-2-pyridinyl)benzamide
CID 59020958
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 70670957
N-(5-ethynyl-2-pyridinyl)-2-[[4-(1-propyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 59020823
N-(5-chloro-2-pyridinyl)-4-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]-2,3-dihydrothiophene-5-carboxamide
CID 70883750
N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)ethylsulfanyl]-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11376092
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11192742
3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10207342
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 162069511
N-(4-chlorophenyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18728030

Frequently Asked Questions

What is the IUPAC name of CID 88883182?
The IUPAC name of CID 88883182 (CID 88883182) is not available.
What is the SMILES notation for CID 88883182?
The canonical SMILES for CID 88883182 is [B]c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C3=NCCCN3C)cc2)nc1.
What is the InChIKey of CID 88883182?
The InChIKey is LXYSCNVIOIPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BN5O2/c1-30-14-4-13-26-22(30)16-7-9-17(10-8-16)23(31)28-20-6-3-2-5-19(20)24(32)29-21-12-11-18(25)15-27-21/h2-3,5-12,15H,4,13-14H2,1H3,(H,28,31)(H,27,29,32).
What are the key properties of CID 88883182?
CID 88883182 has a molecular weight of 423.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88883182 is sourced from PubChem (CID 88883182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).