CID 174060843

C18H15AsN4O — CID 174060843

IUPAC—
SMILESCOc1ccc(Cn2nc([As])cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H15AsN4O/c1-24-13-8-6-12(7-9-13)11-23-16(10-17(19)22-23)18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyPQLBOJOBERRMIV-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.28
Rot. Bonds4

About CID 174060843

CID 174060843 (PubChem CID 174060843) has the molecular formula C18H15AsN4O and a molecular weight of 378.27 g/mol.

Molecular Properties

Compound NameCID 174060843
PubChem CID174060843
Molecular FormulaC18H15AsN4O
Molecular Weight378.27 g/mol
Exact Mass378.05
IUPAC Name—
SMILESCOc1ccc(Cn2nc([As])cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H15AsN4O/c1-24-13-8-6-12(7-9-13)11-23-16(10-17(19)22-23)18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyPQLBOJOBERRMIV-UHFFFAOYSA-N
XLogP2.28
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175716009
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
3-(1H-benzimidazol-2-yl)-4-chloro-N-[(3,5-dimethoxyphenyl)methyl]aniline
CID 70967023
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597

Frequently Asked Questions

What is the IUPAC name of CID 174060843?
The IUPAC name of CID 174060843 (CID 174060843) is not available.
What is the SMILES notation for CID 174060843?
The canonical SMILES for CID 174060843 is COc1ccc(Cn2nc([As])cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of CID 174060843?
The InChIKey is PQLBOJOBERRMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15AsN4O/c1-24-13-8-6-12(7-9-13)11-23-16(10-17(19)22-23)18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of CID 174060843?
CID 174060843 has a molecular weight of 378.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174060843 is sourced from PubChem (CID 174060843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).