CID 89119273

C16H15BN4O — CID 89119273

IUPAC—
SMILES[B]c1cccc(NC(=O)Nc2cccc(C3=NCCN3)c2)c1
InChIInChI=1S/C16H15BN4O/c17-12-4-2-6-14(10-12)21-16(22)20-13-5-1-3-11(9-13)15-18-7-8-19-15/h1-6,9-10H,7-8H2,(H,18,19)(H2,20,21,22)
InChIKeyIBYUWGOMDZMSOE-UHFFFAOYSA-N
MW290.14 g/mol
LogP1.47
Rot. Bonds3

About CID 89119273

CID 89119273 (PubChem CID 89119273) has the molecular formula C16H15BN4O and a molecular weight of 290.14 g/mol.

Molecular Properties

Compound NameCID 89119273
PubChem CID89119273
Molecular FormulaC16H15BN4O
Molecular Weight290.14 g/mol
Exact Mass290.13
IUPAC Name—
SMILES[B]c1cccc(NC(=O)Nc2cccc(C3=NCCN3)c2)c1
InChIInChI=1S/C16H15BN4O/c17-12-4-2-6-14(10-12)21-16(22)20-13-5-1-3-11(9-13)15-18-7-8-19-15/h1-6,9-10H,7-8H2,(H,18,19)(H2,20,21,22)
InChIKeyIBYUWGOMDZMSOE-UHFFFAOYSA-N
XLogP1.47
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919861
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919884
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 82252612
2-[3-(4,5-dihydro-1H-imidazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607188
4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-2-[[4-(N,N'-dimethylcarbamimidoyl)phenyl]carbamoylamino]-N-methylbenzamide
CID 86344398
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876826

Frequently Asked Questions

What is the IUPAC name of CID 89119273?
The IUPAC name of CID 89119273 (CID 89119273) is not available.
What is the SMILES notation for CID 89119273?
The canonical SMILES for CID 89119273 is [B]c1cccc(NC(=O)Nc2cccc(C3=NCCN3)c2)c1.
What is the InChIKey of CID 89119273?
The InChIKey is IBYUWGOMDZMSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BN4O/c17-12-4-2-6-14(10-12)21-16(22)20-13-5-1-3-11(9-13)15-18-7-8-19-15/h1-6,9-10H,7-8H2,(H,18,19)(H2,20,21,22).
What are the key properties of CID 89119273?
CID 89119273 has a molecular weight of 290.14 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89119273 is sourced from PubChem (CID 89119273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).