CID 86633631

C23H29ClN4O2Si — CID 86633631

IUPAC—
SMILESCOc1cc(Nc2cc(C(C)(C)O[Si]C(C)(C)C)cc(Cl)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H29ClN4O2Si/c1-15-13-28(14-25-15)18-9-8-17(12-19(18)29-7)26-21-11-16(10-20(24)27-21)23(5,6)30-31-22(2,3)4/h8-14H,1-7H3,(H,26,27)
InChIKeyCLMKHQPLUDGECU-UHFFFAOYSA-N
MW457.05 g/mol
LogP6.07
Rot. Bonds7

About CID 86633631

CID 86633631 (PubChem CID 86633631) has the molecular formula C23H29ClN4O2Si and a molecular weight of 457.05 g/mol.

Molecular Properties

Compound NameCID 86633631
PubChem CID86633631
Molecular FormulaC23H29ClN4O2Si
Molecular Weight457.05 g/mol
Exact Mass456.17
IUPAC Name—
SMILESCOc1cc(Nc2cc(C(C)(C)O[Si]C(C)(C)C)cc(Cl)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H29ClN4O2Si/c1-15-13-28(14-25-15)18-9-8-17(12-19(18)29-7)26-21-11-16(10-20(24)27-21)23(5,6)30-31-22(2,3)4/h8-14H,1-7H3,(H,26,27)
InChIKeyCLMKHQPLUDGECU-UHFFFAOYSA-N
XLogP6.07
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.05
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068
5-chloro-1-[(1S)-1-(4-iodophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70269836
6-chloro-2-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70271213
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914
2-[8-(4-chlorophenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-2-ol
CID 53340234
1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075743
1,1,1-trifluoro-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-2-one
CID 87190919
5-(4-fluorocyclohexa-1,3-dien-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazol-3-amine
CID 90346636

Frequently Asked Questions

What is the IUPAC name of CID 86633631?
The IUPAC name of CID 86633631 (CID 86633631) is not available.
What is the SMILES notation for CID 86633631?
The canonical SMILES for CID 86633631 is COc1cc(Nc2cc(C(C)(C)O[Si]C(C)(C)C)cc(Cl)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of CID 86633631?
The InChIKey is CLMKHQPLUDGECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2Si/c1-15-13-28(14-25-15)18-9-8-17(12-19(18)29-7)26-21-11-16(10-20(24)27-21)23(5,6)30-31-22(2,3)4/h8-14H,1-7H3,(H,26,27).
What are the key properties of CID 86633631?
CID 86633631 has a molecular weight of 457.05 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86633631 is sourced from PubChem (CID 86633631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).