CID 148507706

C25H30IN2- — CID 148507706

IUPAC—
SMILESCc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)[I-]1(C)C
InChIInChI=1S/C25H30IN2/c1-19-12-10-11-15-22(19)28-24-18-20(25(2,3)4)16-17-23(24)27(26(28,5)6)21-13-8-7-9-14-21/h7-18H,1-6H3/q-1
InChIKeyBWIIJGUTVUTJDK-UHFFFAOYSA-N
MW485.43 g/mol
LogP3.83
Rot. Bonds2

About CID 148507706

CID 148507706 (PubChem CID 148507706) has the molecular formula C25H30IN2- and a molecular weight of 485.43 g/mol.

Molecular Properties

Compound NameCID 148507706
PubChem CID148507706
Molecular FormulaC25H30IN2-
Molecular Weight485.43 g/mol
Exact Mass485.15
IUPAC Name—
SMILESCc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)[I-]1(C)C
InChIInChI=1S/C25H30IN2/c1-19-12-10-11-15-22(19)28-24-18-20(25(2,3)4)16-17-23(24)27(26(28,5)6)21-13-8-7-9-14-21/h7-18H,1-6H3/q-1
InChIKeyBWIIJGUTVUTJDK-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
3-tert-butyl-10-phenylphenothiazine
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2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 162296591
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
4-tert-butyl-2-methyl-1-phenylsulfanylbenzene
CID 134392387
4-(5-tert-butyl-2-methylphenyl)-1,2,4-triazole
CID 146480340
2-tert-butyl-5,5,6-triethyl-7-(2-methylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline
CID 123805903
3-tert-butyl-5-ethenyl-5,6,6-trimethyl-7-(2-methylphenyl)-6aH-benzimidazolo[1,2-a]quinoline
CID 129305053
(2S)-5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-benzimidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole
CID 160733354
[18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]-triphenylsilane
CID 162496842

Frequently Asked Questions

What is the IUPAC name of CID 148507706?
The IUPAC name of CID 148507706 (CID 148507706) is not available.
What is the SMILES notation for CID 148507706?
The canonical SMILES for CID 148507706 is Cc1ccccc1N1c2cc(C(C)(C)C)ccc2N(c2ccccc2)[I-]1(C)C.
What is the InChIKey of CID 148507706?
The InChIKey is BWIIJGUTVUTJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30IN2/c1-19-12-10-11-15-22(19)28-24-18-20(25(2,3)4)16-17-23(24)27(26(28,5)6)21-13-8-7-9-14-21/h7-18H,1-6H3/q-1.
What are the key properties of CID 148507706?
CID 148507706 has a molecular weight of 485.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148507706 is sourced from PubChem (CID 148507706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).