CID 174010576

C16H18ClN2O3Si — CID 174010576

IUPAC—
SMILESCOC(=O)c1ccc2nc([C@H](C)Cl)n(CC([Si])[C@@H]3CCO3)c2c1
InChIInChI=1S/C16H18ClN2O3Si/c1-9(17)15-18-11-4-3-10(16(20)21-2)7-12(11)19(15)8-14(23)13-5-6-22-13/h3-4,7,9,13-14H,5-6,8H2,1-2H3/t9-,13-,14?/m0/s1
InChIKeyUWOFZNZVKOCVKK-RFESSQRHSA-N
MW349.87 g/mol
LogP2.87
Rot. Bonds5

About CID 174010576

CID 174010576 (PubChem CID 174010576) has the molecular formula C16H18ClN2O3Si and a molecular weight of 349.87 g/mol.

Molecular Properties

Compound NameCID 174010576
PubChem CID174010576
Molecular FormulaC16H18ClN2O3Si
Molecular Weight349.87 g/mol
Exact Mass349.08
IUPAC Name—
SMILESCOC(=O)c1ccc2nc([C@H](C)Cl)n(CC([Si])[C@@H]3CCO3)c2c1
InChIInChI=1S/C16H18ClN2O3Si/c1-9(17)15-18-11-4-3-10(16(20)21-2)7-12(11)19(15)8-14(23)13-5-6-22-13/h3-4,7,9,13-14H,5-6,8H2,1-2H3/t9-,13-,14?/m0/s1
InChIKeyUWOFZNZVKOCVKK-RFESSQRHSA-N
XLogP2.87
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(1S)-1-chloroethyl]-3-(oxetan-2-yl)benzimidazole-5-carboxylate
CID 175576485
methyl 2-[(1S)-1-chloroethyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 175368073
methyl 3-(oxetan-2-ylmethyl)-2-(piperidin-4-ylmethyl)benzimidazole-5-carboxylate
CID 175442566
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 164601697
methyl 3-(oxetan-2-ylmethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 175485964
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[(3S)-pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylate
CID 166114178
2-(1-chloroethyl)-6-fluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 62378406
methyl 3-(oxetan-2-ylmethyl)-2-[(1S)-1-[4-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]benzimidazole-5-carboxylate
CID 175367963
tert-butyl 2-(chloromethyl)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate
CID 155090497
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
2-(1-chloroethyl)-3-(2-methoxypropyl)benzimidazole-5-carbonitrile
CID 102699466
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345

Frequently Asked Questions

What is the IUPAC name of CID 174010576?
The IUPAC name of CID 174010576 (CID 174010576) is not available.
What is the SMILES notation for CID 174010576?
The canonical SMILES for CID 174010576 is COC(=O)c1ccc2nc([C@H](C)Cl)n(CC([Si])[C@@H]3CCO3)c2c1.
What is the InChIKey of CID 174010576?
The InChIKey is UWOFZNZVKOCVKK-RFESSQRHSA-N. The full InChI is InChI=1S/C16H18ClN2O3Si/c1-9(17)15-18-11-4-3-10(16(20)21-2)7-12(11)19(15)8-14(23)13-5-6-22-13/h3-4,7,9,13-14H,5-6,8H2,1-2H3/t9-,13-,14?/m0/s1.
What are the key properties of CID 174010576?
CID 174010576 has a molecular weight of 349.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174010576 is sourced from PubChem (CID 174010576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).