CID 142511620

C22H18B6ClN5O2 — CID 142511620

IUPAC—
SMILES[B]C([B])(N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)C([B])([B])C([B])([B])n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C22H18B6ClN5O2/c23-20(24,22(27,28)34-17-4-2-1-3-14(17)30-19(34)36)21(25,26)32-9-7-13(8-10-32)33-16-6-5-12(29)11-15(16)31-18(33)35/h1-6,11,13H,7-10H2,(H,30,36)(H,31,35)
InChIKeyBUASWFOYBJXBNC-UHFFFAOYSA-N
MW484.74 g/mol
LogP0.35
Rot. Bonds5

About CID 142511620

CID 142511620 (PubChem CID 142511620) has the molecular formula C22H18B6ClN5O2 and a molecular weight of 484.74 g/mol.

Molecular Properties

Compound NameCID 142511620
PubChem CID142511620
Molecular FormulaC22H18B6ClN5O2
Molecular Weight484.74 g/mol
Exact Mass485.17
IUPAC Name—
SMILES[B]C([B])(N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)C([B])([B])C([B])([B])n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C22H18B6ClN5O2/c23-20(24,22(27,28)34-17-4-2-1-3-14(17)30-19(34)36)21(25,26)32-9-7-13(8-10-32)33-16-6-5-12(29)11-15(16)31-18(33)35/h1-6,11,13H,7-10H2,(H,30,36)(H,31,35)
InChIKeyBUASWFOYBJXBNC-UHFFFAOYSA-N
XLogP0.35
TPSA78.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.74
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 142511620 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

6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
1,3-bis[3-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzimidazol-2-one
CID 71314715
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
CID 142511617
CID 142511617
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one
CID 5255699
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
6-chloro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 172968606
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968096
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515

Frequently Asked Questions

What is the IUPAC name of CID 142511620?
The IUPAC name of CID 142511620 (CID 142511620) is not available.
What is the SMILES notation for CID 142511620?
The canonical SMILES for CID 142511620 is [B]C([B])(N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)C([B])([B])C([B])([B])n1c(=O)[nH]c2ccccc21.
What is the InChIKey of CID 142511620?
The InChIKey is BUASWFOYBJXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18B6ClN5O2/c23-20(24,22(27,28)34-17-4-2-1-3-14(17)30-19(34)36)21(25,26)32-9-7-13(8-10-32)33-16-6-5-12(29)11-15(16)31-18(33)35/h1-6,11,13H,7-10H2,(H,30,36)(H,31,35).
What are the key properties of CID 142511620?
CID 142511620 has a molecular weight of 484.74 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142511620 is sourced from PubChem (CID 142511620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).