CID 89324885

C15H14BN5O — CID 89324885

IUPAC—
SMILES[B]c1cc(-c2cccnc2)cc2[nH]c(NC(=O)NCC)nc12
InChIInChI=1S/C15H14BN5O/c1-2-18-15(22)21-14-19-12-7-10(6-11(16)13(12)20-14)9-4-3-5-17-8-9/h3-8H,2H2,1H3,(H3,18,19,20,21,22)
InChIKeyBAADEVALGRNABJ-UHFFFAOYSA-N
MW291.12 g/mol
LogP1.56
Rot. Bonds3

About CID 89324885

CID 89324885 (PubChem CID 89324885) has the molecular formula C15H14BN5O and a molecular weight of 291.12 g/mol.

Molecular Properties

Compound NameCID 89324885
PubChem CID89324885
Molecular FormulaC15H14BN5O
Molecular Weight291.12 g/mol
Exact Mass291.13
IUPAC Name—
SMILES[B]c1cc(-c2cccnc2)cc2[nH]c(NC(=O)NCC)nc12
InChIInChI=1S/C15H14BN5O/c1-2-18-15(22)21-14-19-12-7-10(6-11(16)13(12)20-14)9-4-3-5-17-8-9/h3-8H,2H2,1H3,(H3,18,19,20,21,22)
InChIKeyBAADEVALGRNABJ-UHFFFAOYSA-N
XLogP1.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 51.56
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

CID 89325071
CID 89325071
1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
CID 21366055
1-ethyl-3-(4-phenylmethoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 21366049
1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 10318992
1-ethyl-3-[4-[3-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 44601215
1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 71232480
1-[4-(C-cyclopropyl-N-ethoxycarbonimidoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 90785547
1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 58241391
1-ethyl-3-[4-(3-methyl-1λ3-ioda-3-azacyclohexa-1,4-dien-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 163790450
2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-3,4-dihydropyrazole-4-carboxylic acid
CID 71033102
1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 158263506
1-ethyl-3-[6-(5-fluoro-3-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 11494578

Frequently Asked Questions

What is the IUPAC name of CID 89324885?
The IUPAC name of CID 89324885 (CID 89324885) is not available.
What is the SMILES notation for CID 89324885?
The canonical SMILES for CID 89324885 is [B]c1cc(-c2cccnc2)cc2[nH]c(NC(=O)NCC)nc12.
What is the InChIKey of CID 89324885?
The InChIKey is BAADEVALGRNABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BN5O/c1-2-18-15(22)21-14-19-12-7-10(6-11(16)13(12)20-14)9-4-3-5-17-8-9/h3-8H,2H2,1H3,(H3,18,19,20,21,22).
What are the key properties of CID 89324885?
CID 89324885 has a molecular weight of 291.12 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89324885 is sourced from PubChem (CID 89324885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).