[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol

C27H26N2O — CID 70191846

IUPAC[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol
SMILESCC1C(CO)C1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C27H26N2O/c1-20-24(18-30)26(20)25-17-29(19-28-25)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19-20,24,26,30H,18H2,1H3
InChIKeyNOEBNTVKTPWSOG-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.07
Rot. Bonds6

About [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol

[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol (PubChem CID 70191846) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol
PubChem CID70191846
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol
SMILESCC1C(CO)C1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C27H26N2O/c1-20-24(18-30)26(20)25-17-29(19-28-25)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19-20,24,26,30H,18H2,1H3
InChIKeyNOEBNTVKTPWSOG-UHFFFAOYSA-N
XLogP5.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol?
The IUPAC name of [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol (CID 70191846) is [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol?
The canonical SMILES for [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol is CC1C(CO)C1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol?
The InChIKey is NOEBNTVKTPWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-20-24(18-30)26(20)25-17-29(19-28-25)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19-20,24,26,30H,18H2,1H3.
What are the key properties of [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol?
[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol has a molecular weight of 394.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 70191846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).